(2E,4E,6E,8E)-2,4,6,8-Decatetraene C10H14 structure

Flashcard maker : Lily Taylor

C10H14 structure
Molecular Formula C10H14
Average mass 134.218 Da
Density 0.8±0.1 g/cm3
Boiling Point 199.8±7.0 °C at 760 mmHg
Flash Point 57.8±13.0 °C
Molar Refractivity 48.6±0.3 cm3
Polarizability 19.3±0.5 10-24cm3
Surface Tension 25.8±3.0 dyne/cm
Molar Volume 168.1±3.0 cm3
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon

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

Density: 0.8±0.1 g/cm3
Boiling Point: 199.8±7.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 41.8±0.8 kJ/mol
Flash Point: 57.8±13.0 °C
Index of Refraction: 1.490
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 452.88
ACD/KOC (pH 5.5): 2771.77
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.88
ACD/KOC (pH 7.4): 2771.77
Polar Surface Area: 0 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 25.8±3.0 dyne/cm
Molar Volume: 168.1±3.0 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) = 4.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 190.35 (Adapted Stein & Brown method)
 Melting Pt (deg C): -46.77 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.816 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4.556
 log Kow used: 4.39 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 65.718 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 3.05E-001 atm-m3/mole
 Group Method: 1.28E-002 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 3.163E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 4.39 (KowWin est)
 Log Kaw used: 1.096 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 3.294
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.9005
 Biowin2 (Non-Linear Model) : 0.9918
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.4992 (days-weeks )
 Biowin4 (Primary Survey Model) : 4.1922 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.3632
 Biowin6 (MITI Non-Linear Model): 0.2531
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): -0.5467
 Ready Biodegradability Prediction: NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
 LOG BioHC Half-Life (days) : 0.2429
 BioHC Half-Life (days) : 1.7494

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 99.6 Pa (0.747 mm Hg)
 Log Koa (Koawin est ): 3.294
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.01E-008 
 Octanol/air (Koa) model: 4.83E-010 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.09E-006 
 Mackay model : 2.41E-006 
 Octanol/air (Koa) model: 3.86E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 241.6720 E-12 cm3/molecule-sec
 Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 0.531 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 10.530000 E-17 cm3/molecule-sec
 Half-Life = 0.109 Days (at 7E11 mol/cm3)
 Half-Life = 2.612 Hrs
 Fraction sorbed to airborne particulates (phi): 1.75E-006 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1724
 Log Koc: 3.236 

 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 = 2.682 (BCF = 481)
 log Kow used: 4.39 (estimated)

 Volatilization from Water:
 Henry LC: 0.0128 atm-m3/mole (estimated by Group SAR Method)
 Half-Life from Model River: 1.235 hours
 Half-Life from Model Lake : 110.6 hours (4.609 days)

 Removal In Wastewater Treatment:
 Total removal: 88.18 percent
 Total biodegradation: 0.19 percent
 Total sludge adsorption: 34.33 percent
 Total to Air: 53.67 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.224 0.755 1000 
 Water 20.8 208 1000 
 Soil 75.1 416 1000 
 Sediment 3.91 1.87e+003 0 
 Persistence Time: 236 hr




 

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