9-Decen-1-ol C10H20O structure – Flashcards
Flashcard maker : Ray Collins
Contents
| Molecular Formula | C10H20O |
| Average mass | 156.265 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 236.0±0.0 °C at 760 mmHg |
| Flash Point | 98.9±0.0 °C |
| Molar Refractivity | 49.6±0.3 cm3 |
| Polarizability | 19.7±0.5 10-24cm3 |
| Surface Tension | 30.0±3.0 dyne/cm |
| Molar Volume | 186.2±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 236.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 55.0±6.0 kJ/mol |
| Flash Point: | 98.9±0.0 °C |
| Index of Refraction: | 1.446 |
| Molar Refractivity: | 49.6±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 8 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.55 |
| ACD/LogD (pH 5.5): | 3.20 |
| ACD/BCF (pH 5.5): | 159.68 |
| ACD/KOC (pH 5.5): | 1314.33 |
| ACD/LogD (pH 7.4): | 3.20 |
| ACD/BCF (pH 7.4): | 159.68 |
| ACD/KOC (pH 7.4): | 1314.33 |
| Polar Surface Area: | 20 Å2 |
| Polarizability: | 19.7±0.5 10-24cm3 |
| Surface Tension: | 30.0±3.0 dyne/cm |
| Molar Volume: | 186.2±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) = 3.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 237.27 (Adapted Stein & Brown method) Melting Pt (deg C): 6.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00796 (Mean VP of Antoine & Grain methods) BP (exp database): 236 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 175.4 log Kow used: 3.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 80.297 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.07E-005 atm-m3/mole Group Method: 2.45E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.331E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.65 (KowWin est) Log Kaw used: -2.779 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.429 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8319 Biowin2 (Non-Linear Model) : 0.8707 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0138 (weeks ) Biowin4 (Primary Survey Model) : 3.7517 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8223 Biowin6 (MITI Non-Linear Model): 0.9269 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9562 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1 Pa (0.0075 mm Hg) Log Koa (Koawin est ): 6.429 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3E-006 Octanol/air (Koa) model: 6.59E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000108 Mackay model : 0.00024 Octanol/air (Koa) model: 5.27E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.0880 E-12 cm3/molecule-sec Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.202 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): 0.000174 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.17 Log Koc: 1.983 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 = 2.111 (BCF = 129.2) log Kow used: 3.65 (estimated) Volatilization from Water: Henry LC: 4.07E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 19.26 hours Half-Life from Model Lake : 314.9 hours (13.12 days) Removal In Wastewater Treatment: Total removal: 18.56 percent Total biodegradation: 0.21 percent Total sludge adsorption: 16.54 percent Total to Air: 1.81 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.55 5 1000 Water 22.5 360 1000 Soil 75.6 720 1000 Sediment 1.36 3.24e+003 0 Persistence Time: 453 hr
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