Norbornene C7H10 structure

C7H10 structure
Molecular Formula C7H10
Average mass 94.154 Da
Density 1.0±0.1 g/cm3
Boiling Point 96.0±0.0 °C at 760 mmHg
Flash Point -15.0±0.0 °C
Molar Refractivity 29.9±0.3 cm3
Polarizability 11.9±0.5 10-24cm3
Surface Tension 35.5±3.0 dyne/cm
Molar Volume 98.5±3.0 cm3
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Safety:

      11-36-51/53 Alfa Aesar L11103
      16-26-61 Alfa Aesar L11103
      4.1 Alfa Aesar L11103
      Danger Alfa Aesar L11103
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar L11103
      H228-H319-H411 Alfa Aesar L11103
      IRRITANT Matrix Scientific 097757
      P210-P273-P305+P351+P338-P337+P313 Alfa Aesar L11103
  • Gas Chromatography
    • Retention Index (Kovats):

      724 (estimated with error: 39) NIST Spectra mainlib_231462, replib_798, replib_150795
      726 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.23 mm; Column length: 25 m; Column type: Capillary; Start T: 80 C; CAS no: 498668; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Bermejo, J.; Blanco, C.G.; Diez, M.A.; Guillen, M.D., Kovats retention indices of selected mono and polycyclic olefins, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 10, 1987, 461-463., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.23 mm; Column length: 25 m; Column type: Capillary; Start T: 80 C; CAS no: 498668; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J., Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points, J. Chromatogr., 508, 1990, 363-374.) NIST Spectra nist ri
      731 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.23 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 498668; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Bermejo, J.; Blanco, C.G.; Diez, M.A.; Guillen, M.D., Kovats retention indices of selected mono and polycyclic olefins, J. Hi. Res. Chromatogr. & Chromatogr. Comm., 10, 1987, 461-463., Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.23 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 498668; Active phase: OV-101; Carrier gas: N2; Data type: Kovats RI; Authors: Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J., Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points, J. Chromatogr., 508, 1990, 363-374.) NIST Spectra nist ri
      714.6 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.5 mm; Column length: 45 m; Column type: Capillary; Start T: 80 C; CAS no: 498668; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J., Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points, J. Chromatogr., 508, 1990, 363-374.) NIST Spectra nist ri
      721.2 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.5 mm; Column length: 45 m; Column type: Capillary; Start T: 100 C; CAS no: 498668; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J., Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points, J. Chromatogr., 508, 1990, 363-374.) NIST Spectra nist ri
      735.2 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Start T: 80 C; CAS no: 498668; Active phase: SE-54; Carrier gas: N2; Data type: Kovats RI; Authors: Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J., Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points, J. Chromatogr., 508, 1990, 363-374.) NIST Spectra nist ri
      741.1 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.22 mm; Column length: 25 m; Column type: Capillary; Start T: 100 C; CAS no: 498668; Active phase: SE-54; Carrier gas: N2; Data type: Kovats RI; Authors: Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J., Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points, J. Chromatogr., 508, 1990, 363-374.) NIST Spectra nist ri
      706.7 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.23 mm; Column length: 70 m; Column type: Capillary; Start T: 40 C; CAS no: 498668; Active phase: Squalane; Data type: Kovats RI; Authors: Stopp, I.; Engewald, W.; Kuhn, H.; Welsch, Th., Molekulstruktur und retentionsverhalten. VIII. Zum gaschromatographischen retentionsverhalten von dicyclopentadienderivaten, J. Chromatogr., 147, 1978, 21-30.) NIST Spectra nist ri
      704 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 27 C; CAS no: 498668; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
      710 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 49 C; CAS no: 498668; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
      715 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 67 C; CAS no: 498668; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
      720 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 ft; Column type: Packed; Start T: 86 C; CAS no: 498668; Active phase: Squalane; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 6, 1968, 203-217.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      699 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 35 C; End T: 200 C; End time: 10 min; Start time: 15 min; CAS no: 498668; Active phase: PONA; Carrier gas: Nitrogen; Phase thickness: 0.50 um; Data type: Normal alkane RI; Authors: Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T., Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline, Chromatographia, 70(3/4), 2009, 511-518.) NIST Spectra nist ri
      727 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 50 m; Column type: Capillary; Heat rate: 1 K/min; Start T: 30 C; End T: 100 C; Start time: 6 min; CAS no: 498668; Active phase: OV-101; Carrier gas: Helium; Phase thickness: 0.50 um; Data type: Normal alkane RI; Authors: Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 48(1), 1999, 30-39.) NIST Spectra nist ri
      716 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column type: Capillary; CAS no: 498668; Active phase: Squalane; Data type: Normal alkane RI; Authors: Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 609, 2008, 24-36.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 96.0±0.0 °C at 760 mmHg
Vapour Pressure: 50.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 32.2±0.8 kJ/mol
Flash Point: -15.0±0.0 °C
Index of Refraction: 1.520
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.82
ACD/KOC (pH 5.5): 1031.48
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.82
ACD/KOC (pH 7.4): 1031.48
Polar Surface Area: 0 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 98.5±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 2.85
 Log Kow (Exper. database match) = 3.24
 Exper. Ref: Lodge,KB (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 109.63 (Adapted Stein & Brown method)
 Melting Pt (deg C): -60.52 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 31.9 (Modified Grain method)
 MP (exp database): 45 deg C
 BP (exp database): 96 deg C
 VP (exp database): 3.92E+01 mm Hg at 25 deg C
 Subcooled liquid VP: 61.8 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 60.32
 log Kow used: 3.24 (expkow database)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 39.074 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 3.88E-002 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 6.552E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 3.24 (exp database)
 Log Kaw used: 0.200 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 3.040
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7027
 Biowin2 (Non-Linear Model) : 0.8418
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.9911 (weeks )
 Biowin4 (Primary Survey Model) : 3.7119 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.5285
 Biowin6 (MITI Non-Linear Model): 0.5781
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.4079
 Ready Biodegradability Prediction: YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
 LOG BioHC Half-Life (days) : 1.3789
 BioHC Half-Life (days) : 23.9282

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 8.24E+003 Pa (61.8 mm Hg)
 Log Koa (Koawin est ): 3.040
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.64E-010 
 Octanol/air (Koa) model: 2.69E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.32E-008 
 Mackay model : 2.91E-008 
 Octanol/air (Koa) model: 2.15E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 61.1919 E-12 cm3/molecule-sec
 Half-Life = 0.175 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 2.098 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec
 Half-Life = 0.057 Days (at 7E11 mol/cm3)
 Half-Life = 1.375 Hrs
 Fraction sorbed to airborne particulates (phi): 2.11E-008 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 286.9
 Log Koc: 2.458 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 1.795 (BCF = 62.34)
 log Kow used: 3.24 (expkow database)

 Volatilization from Water:
 Henry LC: 0.0388 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.005 hours
 Half-Life from Model Lake : 92.33 hours (3.847 days)

 Removal In Wastewater Treatment:
 Total removal: 93.94 percent
 Total biodegradation: 0.04 percent
 Total sludge adsorption: 4.35 percent
 Total to Air: 89.56 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.146 0.125 1000 
 Water 63.5 360 1000 
 Soil 34.7 720 1000 
 Sediment 1.68 3.24e+003 0 
 Persistence Time: 97.1 hr




 

Click to predict properties on the Chemicalize site

Norbornene C7H10 structure

C7H10 structure
Molecular Formula C7H10
Average mass 94.154 Da
Density 1.0±0.1 g/cm3
Boiling Point 96.0±0.0 °C at 760 mmHg
Flash Point -15.0±0.0 °C
Molar Refractivity 29.9±0.3 cm3
Polarizability 11.9±0.5 10-24cm3
Surface Tension 35.5±3.0 dyne/cm
Molar Volume 98.5±3.0 cm3