p-Mentha-3-en-8-ol C10H18O structure – Flashcards
Flashcard maker : Kenneth McQuaid
| Molecular Formula | C10H18O |
| Average mass | 154.249 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 223.9±9.0 °C at 760 mmHg |
| Flash Point | 87.2±15.0 °C |
| Molar Refractivity | 47.1±0.3 cm3 |
| Polarizability | 18.7±0.5 10-24cm3 |
| Surface Tension | 33.2±3.0 dyne/cm |
| Molar Volume | 165.0±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: | 0.9±0.1 g/cm3 |
| Boiling Point: | 223.9±9.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 53.5±6.0 kJ/mol |
| Flash Point: | 87.2±15.0 °C |
| Index of Refraction: | 1.483 |
| Molar Refractivity: | 47.1±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.52 |
| ACD/LogD (pH 5.5): | 3.21 |
| ACD/BCF (pH 5.5): | 163.07 |
| ACD/KOC (pH 5.5): | 1334.20 |
| ACD/LogD (pH 7.4): | 3.21 |
| ACD/BCF (pH 7.4): | 163.07 |
| ACD/KOC (pH 7.4): | 1334.20 |
| Polar Surface Area: | 20 Å2 |
| Polarizability: | 18.7±0.5 10-24cm3 |
| Surface Tension: | 33.2±3.0 dyne/cm |
| Molar Volume: | 165.0±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) = 3.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 214.38 (Adapted Stein & Brown method) Melting Pt (deg C): 12.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0307 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 335.7 log Kow used: 3.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1767.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.58E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.856E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.33 (KowWin est) Log Kaw used: -3.190 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.520 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4902 Biowin2 (Non-Linear Model) : 0.2880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months) Biowin4 (Primary Survey Model) : 3.4717 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3999 Biowin6 (MITI Non-Linear Model): 0.2970 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1310 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): 3.73 Pa (0.028 mm Hg) Log Koa (Koawin est ): 6.520 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.04E-007 Octanol/air (Koa) model: 8.13E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.9E-005 Mackay model : 6.43E-005 Octanol/air (Koa) model: 6.5E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 94.8866 E-12 cm3/molecule-sec Half-Life = 0.113 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.353 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 4.67E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 57.85 Log Koc: 1.762 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 = 1.865 (BCF = 73.36) log Kow used: 3.33 (estimated) Volatilization from Water: Henry LC: 1.58E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 47.29 hours (1.97 days) Half-Life from Model Lake : 620 hours (25.83 days) Removal In Wastewater Treatment: Total removal: 10.46 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.51 percent Total to Air: 0.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0792 1.57 1000 Water 17.5 900 1000 Soil 81.5 1.8e+003 1000 Sediment 0.851 8.1e+003 0 Persistence Time: 1.02e+003 hr
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