1-[2-(Vinyloxy)ethoxy]ethyl acrylate C9H14O4 structure

C9H14O4 structure
Molecular Formula C9H14O4
Average mass 186.205 Da
Density 1.0±0.1 g/cm3
Boiling Point 228.9±25.0 °C at 760 mmHg
Flash Point 91.4±23.2 °C
Molar Refractivity 48.4±0.3 cm3
Polarizability 19.2±0.5 10-24cm3
Surface Tension 29.8±3.0 dyne/cm
Molar Volume 183.9±3.0 cm3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 228.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 91.4±23.2 °C
Index of Refraction: 1.440
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 131.99
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.44
ACD/KOC (pH 7.4): 131.99
Polar Surface Area: 45 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 183.9±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) = 0.46
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 216.97 (Adapted Stein & Brown method)
Melting Pt (deg C): -0.34 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.153 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.077e+004
log Kow used: 0.46 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.0799e+005 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Acrylates
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.48E-007 atm-m3/mole
Group Method: 9.09E-008 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.805E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.46 (KowWin est)
Log Kaw used: -5.218 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.678
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1384
Biowin2 (Non-Linear Model) : 0.0821
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9105 (weeks )
Biowin4 (Primary Survey Model) : 3.7886 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5905
Biowin6 (MITI Non-Linear Model): 0.5822
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1411
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): 18.9 Pa (0.142 mm Hg)
Log Koa (Koawin est ): 5.678
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.58E-007 
Octanol/air (Koa) model: 1.17E-007 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.72E-006 
Mackay model : 1.27E-005 
Octanol/air (Koa) model: 9.36E-006 
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 76.5123 E-12 cm3/molecule-sec
Half-Life = 0.140 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.678 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec
Half-Life = 1.091 Days (at 7E11 mol/cm3)
Half-Life = 26.194 Hrs
Fraction sorbed to airborne particulates (phi): 9.2E-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 : 2.179E-001 L/mol-sec
Kb Half-Life at pH 8: 36.811 days 
Kb Half-Life at pH 7: 1.008 years 
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.500 (BCF = 3.162)
log Kow used: 0.46 (estimated)
Volatilization from Water:
Henry LC: 9.09E-008 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 8791 hours (366.3 days)
Half-Life from Model Lake : 9.601E+004 hours (4001 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.351 2.97 1000 
Water 45.3 360 1000 
Soil 54.3 720 1000 
Sediment 0.085 3.24e+003 0 
Persistence Time: 370 hr

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