CHLORDIMEFORM C10H13ClN2 structure

Flashcard maker : Amari Finch

C10H13ClN2 structure
Molecular Formula C10H13ClN2
Average mass 196.677 Da
Density 1.1┬▒0.1 g/cm3
Boiling Point 292.7┬▒50.0 °C at 760 mmHg
Flash Point 130.8┬▒30.1 °C
Molar Refractivity 57.1┬▒0.5 cm3
Polarizability 22.6┬▒0.5 10-24cm3
Surface Tension 32.2┬▒7.0 dyne/cm
Molar Volume 187.2┬▒7.0 cm3
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon

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

Density: 1.1┬▒0.1 g/cm3
Boiling Point: 292.7┬▒50.0 °C at 760 mmHg
Vapour Pressure: 0.0┬▒0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2┬▒3.0 kJ/mol
Flash Point: 130.8┬▒30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 57.1┬▒0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 11.84
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 21.76
ACD/KOC (pH 7.4): 213.66
Polar Surface Area: 16 Å2
Polarizability: 22.6┬▒0.5 10-24cm3
Surface Tension: 32.2┬▒7.0 dyne/cm
Molar Volume: 187.2┬▒7.0 cm3

Predicted data is generated using the US Environmental Protection AgencyÔÇÖs EPISuite™

 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 2.89
 Log Kow (Exper. database match) = 2.89
 Exper. Ref: Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 265.33 (Adapted Stein & Brown method)
 Melting Pt (deg C): 40.94 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0098 (Modified Grain method)
 MP (exp database): 35 deg C
 BP (exp database): 156-157 @ 0.4 mm Hg deg C
 VP (exp database): 9.23E-04 mm Hg at 25 deg C
 Subcooled liquid VP: 0.00116 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 1577
 log Kow used: 2.89 (expkow database)
 no-melting pt equation used
 Water Sol (Exper. database match) = 270 mg/L (20 deg C)

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 14949 mg/L
 Wat Sol (Exper. database match) = 270.00

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 4.94E-007 atm-m3/mole
 Group Method: Incomplete
 Exper Database: 3.45E-07 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 1.608E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 2.89 (exp database)
 Log Kaw used: -4.851 (exp database)
 Log Koa (KOAWIN v1.10 estimate): 7.741
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.5262
 Biowin2 (Non-Linear Model) : 0.2275
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4831 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.3301 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.1495
 Biowin6 (MITI Non-Linear Model): 0.0593
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): -0.5492
 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): 0.155 Pa (0.00116 mm Hg)
 Log Koa (Koawin est ): 7.741
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.94E-005 
 Octanol/air (Koa) model: 1.35E-005 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.0007 
 Mackay model : 0.00155 
 Octanol/air (Koa) model: 0.00108 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 90.6357 E-12 cm3/molecule-sec
 Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 1.416 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.00112 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 3092
 Log Koc: 3.490 

 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 = 1.525 (BCF = 33.52)
 log Kow used: 2.89 (expkow database)

 Volatilization from Water:
 Henry LC: 3.45E-007 atm-m3/mole (Henry experimental database)
 Half-Life from Model River: 2381 hours (99.23 days)
 Half-Life from Model Lake : 2.61E+004 hours (1087 days)

 Removal In Wastewater Treatment:
 Total removal: 4.88 percent
 Total biodegradation: 0.12 percent
 Total sludge adsorption: 4.74 percent
 Total to Air: 0.02 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.126 2.83 1000 
 Water 19.9 900 1000 
 Soil 79.6 1.8e+003 1000 
 Sediment 0.357 8.1e+003 0 
 Persistence Time: 1.02e+003 hr


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