Menthene C10H18 structure – Flashcards
Flashcard maker : Richard Molina
| Molecular Formula | C10H18 |
| Average mass | 138.250 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 176.0±0.0 °C at 760 mmHg |
| Flash Point | 43.3±6.6 °C |
| Molar Refractivity | 45.8±0.3 cm3 |
| Polarizability | 18.2±0.5 10-24cm3 |
| Surface Tension | 25.3±3.0 dyne/cm |
| Molar Volume | 169.8±3.0 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: | 176.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 1.5±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 39.5±0.8 kJ/mol |
| Flash Point: | 43.3±6.6 °C |
| Index of Refraction: | 1.452 |
| Molar Refractivity: | 45.8±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.86 |
| ACD/LogD (pH 5.5): | 4.45 |
| ACD/BCF (pH 5.5): | 1432.62 |
| ACD/KOC (pH 5.5): | 6320.57 |
| ACD/LogD (pH 7.4): | 4.45 |
| ACD/BCF (pH 7.4): | 1432.62 |
| ACD/KOC (pH 7.4): | 6320.57 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 18.2±0.5 10-24cm3 |
| Surface Tension: | 25.3±3.0 dyne/cm |
| Molar Volume: | 169.8±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) = 4.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 162.18 (Adapted Stein & Brown method) Melting Pt (deg C): -42.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.7 (Mean VP of Antoine & Grain methods) BP (exp database): 174.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.84 log Kow used: 4.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.2359 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.43E-001 atm-m3/mole Group Method: 3.08E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.681E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.83 (KowWin est) Log Kaw used: 0.997 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.833 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6817 Biowin2 (Non-Linear Model) : 0.7399 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8936 (weeks ) Biowin4 (Primary Survey Model) : 3.6483 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3292 Biowin6 (MITI Non-Linear Model): 0.2894 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0374 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7770 BioHC Half-Life (days) : 5.9840 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 207 Pa (1.55 mm Hg) Log Koa (Koawin est ): 3.833 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.45E-008 Octanol/air (Koa) model: 1.67E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.24E-007 Mackay model : 1.16E-006 Octanol/air (Koa) model: 1.34E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 97.0775 E-12 cm3/molecule-sec Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.322 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 8.43E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1324 Log Koc: 3.122 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 = 3.022 (BCF = 1053) log Kow used: 4.83 (estimated) Volatilization from Water: Henry LC: 0.243 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.203 hours Half-Life from Model Lake : 111.7 hours (4.655 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.28 percent Total biodegradation: 0.15 percent Total sludge adsorption: 44.34 percent Total to Air: 54.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.167 0.419 1000 Water 24.7 360 1000 Soil 55.6 720 1000 Sediment 19.6 3.24e+003 0 Persistence Time: 245 hr
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