Octafluorotoluene C7F8 structure

C7F8 structure
Molecular Formula C7F8
Average mass 236.062 Da
Density 1.6±0.1 g/cm3
Boiling Point 103.1±35.0 °C at 760 mmHg
Flash Point 20.6±0.0 °C
Molar Refractivity 31.2±0.3 cm3
Polarizability 12.4±0.5 10-24cm3
Surface Tension 18.9±3.0 dyne/cm
Molar Volume 144.0±3.0 cm3

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

Density: 1.6±0.1 g/cm3
Boiling Point: 103.1±35.0 °C at 760 mmHg
Vapour Pressure: 37.8±0.2 mmHg at 25°C
Enthalpy of Vaporization: 32.8±3.0 kJ/mol
Flash Point: 20.6±0.0 °C
Index of Refraction: 1.353
Molar Refractivity: 31.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.29
ACD/KOC (pH 5.5): 1167.24
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.29
ACD/KOC (pH 7.4): 1167.24
Polar Surface Area: 0 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 18.9±3.0 dyne/cm
Molar Volume: 144.0±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) = 3.96
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 81.36 (Adapted Stein & Brown method)
Melting Pt (deg C): -37.25 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 30.9 (Mean VP of Antoine & Grain methods)
MP (exp database): -65.6 deg C
BP (exp database): 104.5 deg C
VP (exp database): 2.90E+01 mm Hg at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 11.76
log Kow used: 3.96 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 37.254 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.01E-001 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 8.161E-001 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.96 (KowWin est)
Log Kaw used: 0.616 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.344
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -3.9352
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 0.1298 (recalcitrant)
Biowin4 (Primary Survey Model) : 3.3001 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1489
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 3.87E+003 Pa (29 mm Hg)
Log Koa (Koawin est ): 3.344
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.76E-010 
Octanol/air (Koa) model: 5.42E-010 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.8E-008 
Mackay model : 6.21E-008 
Octanol/air (Koa) model: 4.34E-008 
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0878 E-12 cm3/molecule-sec
Half-Life = 121.877 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 4.5E-008 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.489E+004
Log Koc: 4.173 
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 = 2.348 (BCF = 222.7)
log Kow used: 3.96 (estimated)
Volatilization from Water:
Henry LC: 0.101 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.577 hours
Half-Life from Model Lake : 146 hours (6.085 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 97.82 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 16.41 percent
Total to Air: 81.34 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 30.3 2.93e+003 1000 
Water 32 4.32e+003 1000 
Soil 25.4 8.64e+003 1000 
Sediment 12.3 3.89e+004 0 
Persistence Time: 286 hr

Click to predict properties on the Chemicalize site

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