Methyl(phenyl)phosphine C7H9P structure

C7H9P structure
Molecular Formula C7H9P
Average mass 124.120 Da
Density
Boiling Point 178.6±9.0 °C at 760 mmHg
Flash Point 61.8±18.7 °C
Molar Refractivity
Polarizability
Surface Tension
Molar Volume

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

Density:
Boiling Point: 178.6±9.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.8±3.0 kJ/mol
Flash Point: 61.8±18.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

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

Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.04
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 163.01 (Adapted Stein & Brown method)
Melting Pt (deg C): -40.78 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.18 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1753
log Kow used: 2.04 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 634.64 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 9.07E-005 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.031E-004 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.04 (KowWin est)
Log Kaw used: -2.431 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.471
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8165
Biowin2 (Non-Linear Model) : 0.9546
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9469 (weeks )
Biowin4 (Primary Survey Model) : 3.6735 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3844
Biowin6 (MITI Non-Linear Model): 0.3923
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4975
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): 264 Pa (1.98 mm Hg)
Log Koa (Koawin est ): 4.471
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.14E-008 
Octanol/air (Koa) model: 7.26E-009 
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.1E-007 
Mackay model : 9.09E-007 
Octanol/air (Koa) model: 5.81E-007 
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.0858 E-12 cm3/molecule-sec
Half-Life = 5.128 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 61.535 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 6.6E-007 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 517.8
Log Koc: 2.714 
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 = 0.871 (BCF = 7.431)
log Kow used: 2.04 (estimated)
Volatilization from Water:
Henry LC: 9.07E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 8.328 hours
Half-Life from Model Lake : 184.3 hours (7.678 days)
Removal In Wastewater Treatment:
Total removal: 6.67 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.11 percent
Total to Air: 4.46 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 8.06 123 1000 
Water 29.1 360 1000 
Soil 62.7 720 1000 
Sediment 0.107 3.24e+003 0 
Persistence Time: 368 hr

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