Cyclopentylformaldehyde C6H10O structure – Flashcards
Flashcard maker : David Dunn
Contents
| Molecular Formula | C6H10O |
| Average mass | 98.143 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 133.3±9.0 °C at 760 mmHg |
| Flash Point | 36.0±11.2 °C |
| Molar Refractivity | 29.7±0.3 cm3 |
| Polarizability | 11.8±0.5 10-24cm3 |
| Surface Tension | 37.0±3.0 dyne/cm |
| Molar Volume | 95.3±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 133.3±9.0 °C at 760 mmHg |
| Vapour Pressure: | 8.5±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.1±3.0 kJ/mol |
| Flash Point: | 36.0±11.2 °C |
| Index of Refraction: | 1.535 |
| Molar Refractivity: | 29.7±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.34 |
| ACD/LogD (pH 5.5): | 1.30 |
| ACD/BCF (pH 5.5): | 5.76 |
| ACD/KOC (pH 5.5): | 121.82 |
| ACD/LogD (pH 7.4): | 1.30 |
| ACD/BCF (pH 7.4): | 5.76 |
| ACD/KOC (pH 7.4): | 121.82 |
| Polar Surface Area: | 17 Å2 |
| Polarizability: | 11.8±0.5 10-24cm3 |
| Surface Tension: | 37.0±3.0 dyne/cm |
| Molar Volume: | 95.3±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) = 1.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 140.19 (Adapted Stein & Brown method) Melting Pt (deg C): -47.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.54 (Mean VP of Antoine & Grain methods) BP (exp database): 133.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4968 log Kow used: 1.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 31298 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.29E-005 atm-m3/mole Group Method: 4.25E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.220E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.61 (KowWin est) Log Kaw used: -2.420 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.030 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9855 Biowin2 (Non-Linear Model) : 0.9998 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0046 (weeks ) Biowin4 (Primary Survey Model) : 3.9028 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9229 Biowin6 (MITI Non-Linear Model): 0.9628 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5180 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): 1.05E+003 Pa (7.89 mm Hg) Log Koa (Koawin est ): 4.030 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.85E-009 Octanol/air (Koa) model: 2.63E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.03E-007 Mackay model : 2.28E-007 Octanol/air (Koa) model: 2.1E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.7124 E-12 cm3/molecule-sec Half-Life = 0.360 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.320 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.66E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 17.71 Log Koc: 1.248 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 = 0.542 (BCF = 3.481) log Kow used: 1.61 (estimated) Volatilization from Water: Henry LC: 4.25E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 14.66 hours Half-Life from Model Lake : 243 hours (10.12 days) Removal In Wastewater Treatment: Total removal: 4.22 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.88 percent Total to Air: 2.24 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.47 8.64 1000 Water 37.2 360 1000 Soil 61.2 720 1000 Sediment 0.0942 3.24e+003 0 Persistence Time: 333 hr
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