1-Methyl-1-propylcyclopropane C7H14 structure – Flashcards

Flashcard maker : Gracie Stone

Molecular Formula C7H14
Average mass 98.186 Da
Density 0.8±0.1 g/cm3
Boiling Point 87.6±7.0 °C at 760 mmHg
Flash Point -11.1±11.7 °C
Molar Refractivity 32.4±0.3 cm3
Polarizability 12.8±0.5 10-24cm3
Surface Tension 27.4±3.0 dyne/cm
Molar Volume 125.7±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: 87.6±7.0 °C at 760 mmHg
Vapour Pressure: 71.3±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.4±0.8 kJ/mol
Flash Point: -11.1±11.7 °C
Index of Refraction: 1.429
Molar Refractivity: 32.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.37
ACD/KOC (pH 5.5): 1451.11
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.37
ACD/KOC (pH 7.4): 1451.11
Polar Surface Area: 0 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 27.4±3.0 dyne/cm
Molar Volume: 125.7±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) = 3.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 87.46 (Adapted Stein & Brown method)
 Melting Pt (deg C): -62.63 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 71.8 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 31.61
 log Kow used: 3.56 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 6.0868 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 3.39E-001 atm-m3/mole
 Group Method: 3.30E-001 atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]: 2.935E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 3.56 (KowWin est)
 Log Kaw used: 1.142 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 2.418
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.5169
 Biowin2 (Non-Linear Model) : 0.4728
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.7701 (weeks )
 Biowin4 (Primary Survey Model) : 3.5526 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6268
 Biowin6 (MITI Non-Linear Model): 0.8117
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.1547
 Ready Biodegradability Prediction: YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
 LOG BioHC Half-Life (days) : 1.2809
 BioHC Half-Life (days) : 19.0921

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 9.21E+003 Pa (69.1 mm Hg)
 Log Koa (Koawin est ): 2.418
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 3.26E-010 
 Octanol/air (Koa) model: 6.43E-011 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.18E-008 
 Mackay model : 2.6E-008 
 Octanol/air (Koa) model: 5.14E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 2.9530 E-12 cm3/molecule-sec
 Half-Life = 3.622 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 43.466 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.89E-008 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 229.7
 Log Koc: 2.361 

 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 = 2.038 (BCF = 109.1)
 log Kow used: 3.56 (estimated)

 Volatilization from Water:
 Henry LC: 0.339 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1.013 hours
 Half-Life from Model Lake : 94.14 hours (3.922 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
 Total removal: 99.28 percent
 Total biodegradation: 0.04 percent
 Total sludge adsorption: 7.79 percent
 Total to Air: 91.46 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 38 86.9 1000 
 Water 51.7 360 1000 
 Soil 7.69 720 1000 
 Sediment 2.59 3.24e+003 0 
 Persistence Time: 119 hr




 

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