Tetraethyleneglycol dimethacrylate C16H26O7 structure

C16H26O7 structure
Molecular Formula C16H26O7
Average mass 330.373 Da
Density 1.1±0.1 g/cm3
Boiling Point 409.2±30.0 °C at 760 mmHg
Flash Point 176.4±24.6 °C
Molar Refractivity 84.1±0.3 cm3
Polarizability 33.3±0.5 10-24cm3
Surface Tension 34.5±3.0 dyne/cm
Molar Volume 308.5±3.0 cm3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 409.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 176.4±24.6 °C
Index of Refraction: 1.458
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.40
ACD/KOC (pH 5.5): 234.85
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.40
ACD/KOC (pH 7.4): 234.85
Polar Surface Area: 80 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 308.5±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) = 1.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 351.67 (Adapted Stein & Brown method)
 Melting Pt (deg C): 4.31 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.131 (Mean VP of Antoine & Grain methods)
 BP (exp database): 220 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 532.8
 log Kow used: 1.39 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 13118 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Methacrylates
 Surfactants-nonionic

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.42E-012 atm-m3/mole
 Group Method: 3.62E-015 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.069E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.39 (KowWin est)
 Log Kaw used: -10.236 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 11.626
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : -0.1035
 Biowin2 (Non-Linear Model) : 0.0216
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.7235 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.7998 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.8420
 Biowin6 (MITI Non-Linear Model): 0.7591
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.1627
 Ready Biodegradability Prediction: NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 16.3 Pa (0.122 mm Hg)
 Log Koa (Koawin est ): 11.626
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.84E-007 
 Octanol/air (Koa) model: 0.104 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 6.66E-006 
 Mackay model : 1.48E-005 
 Octanol/air (Koa) model: 0.892 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 81.9750 E-12 cm3/molecule-sec
 Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 1.566 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec
 Half-Life = 0.504 Days (at 7E11 mol/cm3)
 Half-Life = 12.090 Hrs
 Fraction sorbed to airborne particulates (phi): 1.07E-005 (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 : 1.400E-002 L/mol-sec
 Kb Half-Life at pH 8: 1.569 years 
 Kb Half-Life at pH 7: 15.688 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.367 (BCF = 2.328)
 log Kow used: 1.39 (estimated)

 Volatilization from Water:
 Henry LC: 3.62E-015 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 2.94E+011 hours (1.225E+010 days)
 Half-Life from Model Lake : 3.207E+012 hours (1.336E+011 days)

 Removal In Wastewater Treatment:
 Total removal: 1.94 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.85 percent
 Total to Air: 0.00 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 4.29e-008 2.49 1000 
 Water 34.9 900 1000 
 Soil 65 1.8e+003 1000 
 Sediment 0.0835 8.1e+003 0 
 Persistence Time: 1.15e+003 hr




 

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