(1Z)-acetaldehyde hydrazone C2H6N2 structure

Flashcard maker : Jennifer Hawkins

C2H6N2 structure
Molecular FormulaC2H6N2
Average mass58.082 Da
Density0.9±0.1 g/cm3
Boiling Point97.4±23.0 °C at 760 mmHg
Flash Point12.7±22.6 °C
Molar Refractivity16.5±0.5 cm3
Polarizability6.6±0.5 10-24cm3
Surface Tension30.4±7.0 dyne/cm
Molar Volume64.3±7.0 cm3
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon

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

Density: 0.9±0.1 g/cm3
Boiling Point: 97.4±23.0 °C at 760 mmHg
Vapour Pressure: 41.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.7±3.0 kJ/mol
Flash Point: 12.7±22.6 °C
Index of Refraction: 1.428
Molar Refractivity: 16.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.64
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.38
Polar Surface Area: 38 Å2
Polarizability: 6.6±0.5 10-24cm3
Surface Tension: 30.4±7.0 dyne/cm
Molar Volume: 64.3±7.0 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) = -0.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 74.00 (Adapted Stein & Brown method)
 Melting Pt (deg C): -75.30 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 112 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 2.37e+005
 log Kow used: -0.28 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 1.23E-005 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 3.611E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: -0.28 (KowWin est)
 Log Kaw used: -3.299 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 3.019
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7199
 Biowin2 (Non-Linear Model) : 0.8988
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0708 (weeks )
 Biowin4 (Primary Survey Model) : 3.7639 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.4891
 Biowin6 (MITI Non-Linear Model): 0.6832
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5907
 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): 1.45E+004 Pa (109 mm Hg)
 Log Koa (Koawin est ): 3.019
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 2.06E-010 
 Octanol/air (Koa) model: 2.56E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 7.46E-009 
 Mackay model : 1.65E-008 
 Octanol/air (Koa) model: 2.05E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 2.1073 E-12 cm3/molecule-sec
 Half-Life = 5.076 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 60.909 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.2E-008 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 43.79
 Log Koc: 1.641 

 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: -0.28 (estimated)

 Volatilization from Water:
 Henry LC: 1.23E-005 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 37.05 hours (1.544 days)
 Half-Life from Model Lake : 468.1 hours (19.51 days)

 Removal In Wastewater Treatment:
 Total removal: 2.52 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.75 percent
 Total to Air: 0.68 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 7.21 122 1000 
 Water 45.8 360 1000 
 Soil 46.9 720 1000 
 Sediment 0.0841 3.24e+003 0 
 Persistence Time: 342 hr


Click to predict properties on the Chemicalize site

Get instant access to
all materials

Become a Member