Methanide CH3 structure

CH3 structure
Molecular Formula CH3
Average mass 15.035 Da
Density
Boiling Point
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#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) = 0.78
 Log Kow (Exper. database match) = 1.09
 Exper. Ref: Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): -62.40 (Adapted Stein & Brown method)
 Melting Pt (deg C): -152.93 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 5.31E+005 (Mean VP of Antoine & Grain methods)
 MP (exp database): -182.4 deg C
 BP (exp database): -161.5 deg C
 VP (exp database): 4.66E+05 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 2610
 log Kow used: 1.09 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 22 mg/L (25 deg C)
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 428.49 mg/L
 Wat Sol (Exper. database match) = 22.00
 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 4.14E-001 atm-m3/mole
 Group Method: 6.58E-001 atm-m3/mole
 Exper Database: 6.58E-01 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 6.146E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.09 (exp database)
 Log Kaw used: 1.430 (exp database)
 Log Koa (KOAWIN v1.10 estimate): -0.340
 Log Koa (experimental database): -0.380

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7399
 Biowin2 (Non-Linear Model) : 0.9416
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.1637 (weeks )
 Biowin4 (Primary Survey Model) : 3.8246 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6648
 Biowin6 (MITI Non-Linear Model): 0.8891
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.7565
 Ready Biodegradability Prediction: YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
 LOG BioHC Half-Life (days) : 0.5033
 BioHC Half-Life (days) : 3.1866

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 6.21E+007 Pa (4.66E+005 mm Hg)
 Log Koa (Exp database): -0.380
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 4.83E-014 
 Octanol/air (Koa) model: 1.02E-013 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.74E-012 
 Mackay model : 3.86E-012 
 Octanol/air (Koa) model: 8.19E-012 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 0.0069 E-12 cm3/molecule-sec
 Half-Life = 1559.182 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 2.8E-012 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 4.203
 Log Koc: 0.624 

 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 = 0.139 (BCF = 1.378)
 log Kow used: 1.09 (expkow database)

 Volatilization from Water:
 Henry LC: 0.658 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 2.093 hours
 Half-Life from Model Lake : 2.093 hours

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 99.61 percent
 Total biodegradation: 0.02 percent
 Total sludge adsorption: 0.28 percent
 Total to Air: 99.31 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 56.8 3.74e+004 1000 
 Water 42.6 360 1000 
 Soil 0.502 720 1000 
 Sediment 0.0871 3.24e+003 0 
 Persistence Time: 144 hr




 

Click to predict properties on the Chemicalize site

x

Hi!
I'm Anna

Would you like to get such a paper? How about receiving a customized one?

Check it out