p-Menthanone C10H18O structure – Flashcards
Flashcard maker : Joan Grant
Contents
| Molecular Formula | C10H18O |
| Average mass | 154.249 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 220.0±0.0 °C at 760 mmHg |
| Flash Point | 73.0±10.7 °C |
| Molar Refractivity | 46.4±0.3 cm3 |
| Polarizability | 18.4±0.5 10-24cm3 |
| Surface Tension | 27.3±3.0 dyne/cm |
| Molar Volume | 175.1±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 220.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 45.6±3.0 kJ/mol |
| Flash Point: | 73.0±10.7 °C |
| Index of Refraction: | 1.443 |
| Molar Refractivity: | 46.4±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.63 |
| ACD/LogD (pH 5.5): | 3.12 |
| ACD/BCF (pH 5.5): | 138.65 |
| ACD/KOC (pH 5.5): | 1187.93 |
| ACD/LogD (pH 7.4): | 3.12 |
| ACD/BCF (pH 7.4): | 138.65 |
| ACD/KOC (pH 7.4): | 1187.93 |
| Polar Surface Area: | 17 Å2 |
| Polarizability: | 18.4±0.5 10-24cm3 |
| Surface Tension: | 27.3±3.0 dyne/cm |
| Molar Volume: | 175.1±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) = 2.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 212.98 (Adapted Stein & Brown method) Melting Pt (deg C): -1.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.278 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 257.3 log Kow used: 2.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 895.86 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.59E-004 atm-m3/mole Group Method: 1.14E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.193E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.87 (KowWin est) Log Kaw used: -2.187 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.057 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6809 Biowin2 (Non-Linear Model) : 0.5903 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8358 (weeks ) Biowin4 (Primary Survey Model) : 3.6030 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4056 Biowin6 (MITI Non-Linear Model): 0.3352 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2415 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): 34.3 Pa (0.257 mm Hg) Log Koa (Koawin est ): 5.057 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.75E-008 Octanol/air (Koa) model: 2.8E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.16E-006 Mackay model : 7E-006 Octanol/air (Koa) model: 2.24E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.2425 E-12 cm3/molecule-sec Half-Life = 0.460 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.522 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.08E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 123.7 Log Koc: 2.092 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 = 1.510 (BCF = 32.34) log Kow used: 2.87 (estimated) Volatilization from Water: Henry LC: 0.000114 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7.646 hours Half-Life from Model Lake : 187.5 hours (7.815 days) Removal In Wastewater Treatment: Total removal: 9.88 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.46 percent Total to Air: 5.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.42 11 1000 Water 22.4 360 1000 Soil 75.8 720 1000 Sediment 0.295 3.24e+003 0 Persistence Time: 414 hr
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