Glycidyl methacrylate C7H10O3 structure

C7H10O3 structure
Molecular Formula C7H10O3
Average mass 142.152 Da
Density 1.1±0.1 g/cm3
Boiling Point 189.0±0.0 °C at 760 mmHg
Flash Point 76.1±0.0 °C
Molar Refractivity 35.4±0.3 cm3
Polarizability 14.0±0.5 10-24cm3
Surface Tension 36.1±3.0 dyne/cm
Molar Volume 129.8±3.0 cm3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 189.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 76.1±0.0 °C
Index of Refraction: 1.458
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 76.92
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.03
ACD/KOC (pH 7.4): 76.92
Polar Surface Area: 39 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 129.8±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) = 0.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 172.01 (Adapted Stein & Brown method)
 Melting Pt (deg C): -23.31 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.622 (Mean VP of Antoine & Grain methods)
 BP (exp database): 189 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1.652e+004
 log Kow used: 0.81 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 49113 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Epoxides
 Methacrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 3.14E-007 atm-m3/mole
 Group Method: 1.14E-007 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 7.043E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.81 (KowWin est)
 Log Kaw used: -4.892 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 5.702
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.5067
 Biowin2 (Non-Linear Model) : 0.8376
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0166 (weeks )
 Biowin4 (Primary Survey Model) : 3.8619 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.7288
 Biowin6 (MITI Non-Linear Model): 0.7980
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.4695
 Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
 Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 75.5 Pa (0.566 mm Hg)
 Log Koa (Koawin est ): 5.702
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.98E-008 
 Octanol/air (Koa) model: 1.24E-007 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.44E-006 
 Mackay model : 3.18E-006 
 Octanol/air (Koa) model: 9.89E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 20.4623 E-12 cm3/molecule-sec
 Half-Life = 0.523 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 6.273 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
 Half-Life = 1.007 Days (at 7E11 mol/cm3)
 Half-Life = 24.179 Hrs
 Fraction sorbed to airborne particulates (phi): 2.31E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 10
 Log Koc: 1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 7.000E-003 L/mol-sec
 Kb Half-Life at pH 8: 3.138 years 
 Kb Half-Life at pH 7: 31.376 years 

 Total Ka (acid-catalyzed) at 25 deg C : 2.214E-004 L/mol-sec
 Ka Half-Life at pH 7: 992.160 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.500 (BCF = 3.162)
 log Kow used: 0.81 (estimated)

 Volatilization from Water:
 Henry LC: 3.14E-007 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 2224 hours (92.68 days)
 Half-Life from Model Lake : 2.437E+004 hours (1015 days)

 Removal In Wastewater Treatment:
 Total removal: 1.89 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.78 percent
 Total to Air: 0.02 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.943 8.26 1000 
 Water 44.1 360 1000 
 Soil 54.9 720 1000 
 Sediment 0.0856 3.24e+003 0 
 Persistence Time: 370 hr




 

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