1-Methyl-2-methylenecyclohexane C8H14 structure – Flashcards
Flashcard maker : Blake Terry
![C8H14 structure](/wp-content/uploads/2017/10/121381.png)
Molecular Formula | C8H14 |
Average mass | 110.197 Da |
Density | 0.8±0.1 g/cm3 |
Boiling Point | 127.5±7.0 °C at 760 mmHg |
Flash Point | 12.5±5.8 °C |
Molar Refractivity | 36.6±0.4 cm3 |
Polarizability | 14.5±0.5 10-24cm3 |
Surface Tension | 23.8±5.0 dyne/cm |
Molar Volume | 137.7±5.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 0.8±0.1 g/cm3 |
Boiling Point: | 127.5±7.0 °C at 760 mmHg |
Vapour Pressure: | 13.5±0.1 mmHg at 25°C |
Enthalpy of Vaporization: | 35.0±0.8 kJ/mol |
Flash Point: | 12.5±5.8 °C |
Index of Refraction: | 1.444 |
Molar Refractivity: | 36.6±0.4 cm3 |
#H bond acceptors: | 0 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 0 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 3.97 |
ACD/LogD (pH 5.5): | 3.58 |
ACD/BCF (pH 5.5): | 308.39 |
ACD/KOC (pH 5.5): | 2105.23 |
ACD/LogD (pH 7.4): | 3.58 |
ACD/BCF (pH 7.4): | 308.39 |
ACD/KOC (pH 7.4): | 2105.23 |
Polar Surface Area: | 0 Å2 |
Polarizability: | 14.5±0.5 10-24cm3 |
Surface Tension: | 23.8±5.0 dyne/cm |
Molar Volume: | 137.7±5.0 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) = 4.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 124.42 (Adapted Stein & Brown method) Melting Pt (deg C): -56.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 15.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 12.01 log Kow used: 4.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 26.446 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.08E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.883E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.00 (KowWin est) Log Kaw used: 0.930 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.070 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6951 Biowin2 (Non-Linear Model) : 0.8090 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9556 (weeks ) Biowin4 (Primary Survey Model) : 3.6887 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4884 Biowin6 (MITI Non-Linear Model): 0.5591 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1689 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7619 BioHC Half-Life (days) : 5.7796 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.93E+003 Pa (14.5 mm Hg) Log Koa (Koawin est ): 3.070 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.55E-009 Octanol/air (Koa) model: 2.88E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.6E-008 Mackay model : 1.24E-007 Octanol/air (Koa) model: 2.31E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.3414 E-12 cm3/molecule-sec Half-Life = 0.180 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.163 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 9.01E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 443.1 Log Koc: 2.646 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 = 2.383 (BCF = 241.6) log Kow used: 4.00 (estimated) Volatilization from Water: Henry LC: 0.208 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.074 hours Half-Life from Model Lake : 99.74 hours (4.156 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.93 percent Total biodegradation: 0.07 percent Total sludge adsorption: 17.33 percent Total to Air: 81.53 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.61 3.64 1000 Water 56.5 360 1000 Soil 32.7 720 1000 Sediment 7.2 3.24e+003 0 Persistence Time: 108 hr
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