dimethylamide C2H6N structure

Flashcard maker : Ben Powell

C2H6N structure
Molecular FormulaC2H6N
Average mass44.076 Da
Density
Boiling Point6.1±3.0 °C at 760 mmHg
Flash Point-56.1±8.8 °C
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon

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

Density:
Boiling Point: 6.1±3.0 °C at 760 mmHg
Vapour Pressure: 1520.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 26.4±0.0 kJ/mol
Flash Point: -56.1±8.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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) = -0.17
 Log Kow (Exper. database match) = -0.38
 Exper. Ref: Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 16.06 (Adapted Stein & Brown method)
 Melting Pt (deg C): -106.24 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 1.47E+003 (Mean VP of Antoine & Grain methods)
 MP (exp database): -92.2 deg C
 BP (exp database): 6.8 deg C
 VP (exp database): 1.52E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1e+006
 log Kow used: -0.38 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 1.63e+006 mg/L (40 deg C)
 Exper. Ref: SCHWEIZER,AE ET AL. (1978)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L
 Wat Sol (Exper. database match) = 1630000.00
 Exper. Ref: SCHWEIZER,AE ET AL. (1978)

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.66E-005 atm-m3/mole
 Group Method: 1.81E-005 atm-m3/mole
 Exper Database: 1.77E-05 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 4.508E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -0.38 (exp database)
 Log Kaw used: -3.140 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 2.760
 Log Koa (experimental database): 2.000

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.8799
 Biowin2 (Non-Linear Model) : 0.9701
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.1240 (weeks )
 Biowin4 (Primary Survey Model) : 3.8260 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6121
 Biowin6 (MITI Non-Linear Model): 0.7268
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.8542
 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): 2.03E+005 Pa (1.52E+003 mm Hg)
 Log Koa (Exp database): 2.000
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.48E-011 
 Octanol/air (Koa) model: 2.45E-011 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 5.35E-010 
 Mackay model : 1.18E-009 
 Octanol/air (Koa) model: 1.96E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 65.5296 E-12 cm3/molecule-sec
 Half-Life = 0.163 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 1.959 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 8.59E-010 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 13.4
 Log Koc: 1.127 

 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 = 0.500 (BCF = 3.162)
 log Kow used: -0.38 (expkow database)

 Volatilization from Water:
 Henry LC: 1.77E-005 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 22.89 hours
 Half-Life from Model Lake : 306.1 hours (12.75 days)

 Removal In Wastewater Treatment:
 Total removal: 2.81 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.74 percent
 Total to Air: 0.98 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.712 3.78 1000 
 Water 48.9 360 1000 
 Soil 50.3 720 1000 
 Sediment 0.0898 3.24e+003 0 
 Persistence Time: 304 hr




 

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