1-Chlorooctadecane C18H37Cl structure – Flashcards
Flashcard maker : Lucas Davies
Contents
| Molecular Formula | C18H37Cl |
| Average mass | 288.939 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 347.8±5.0 °C at 760 mmHg |
| Flash Point | 151.9±3.4 °C |
| Molar Refractivity | 90.3±0.3 cm3 |
| Polarizability | 35.8±0.5 10-24cm3 |
| Surface Tension | 29.7±3.0 dyne/cm |
| Molar Volume | 337.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- 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: | 347.8±5.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.7 mmHg at 25°C |
| Enthalpy of Vaporization: | 56.9±3.0 kJ/mol |
| Flash Point: | 151.9±3.4 °C |
| Index of Refraction: | 1.448 |
| Molar Refractivity: | 90.3±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 16 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 10.00 |
| ACD/LogD (pH 5.5): | 9.50 |
| ACD/BCF (pH 5.5): | 1000000.00 |
| ACD/KOC (pH 5.5): | 3490075.00 |
| ACD/LogD (pH 7.4): | 9.50 |
| ACD/BCF (pH 7.4): | 1000000.00 |
| ACD/KOC (pH 7.4): | 3490075.00 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 35.8±0.5 10-24cm3 |
| Surface Tension: | 29.7±3.0 dyne/cm |
| Molar Volume: | 337.0±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) = 9.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 342.20 (Adapted Stein & Brown method) Melting Pt (deg C): 58.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000137 (Modified Grain method) MP (exp database): 28.6 deg C BP (exp database): 348 deg C VP (exp database): 1.71E-05 mm Hg at 25 deg C Subcooled liquid VP: 1.86E-005 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001246 log Kow used: 9.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.3808e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E+000 atm-m3/mole Group Method: 2.28E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.180E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.44 (KowWin est) Log Kaw used: 1.616 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.824 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6070 Biowin2 (Non-Linear Model) : 0.2491 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6858 (weeks-months) Biowin4 (Primary Survey Model) : 3.5993 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6941 Biowin6 (MITI Non-Linear Model): 0.7039 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8660 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): 0.00248 Pa (1.86E-005 mm Hg) Log Koa (Koawin est ): 7.824 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00121 Octanol/air (Koa) model: 1.64E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0419 Mackay model : 0.0882 Octanol/air (Koa) model: 0.00131 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.9489 E-12 cm3/molecule-sec Half-Life = 0.487 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.848 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.065 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.257E+005 Log Koc: 5.629 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.044E-013 L/mol-sec Kb Half-Life at pH 8: 2.104E+011 years Kb Half-Life at pH 7: 2.104E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 9.44 (estimated) Volatilization from Water: Henry LC: 1.01 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.736 hours Half-Life from Model Lake : 161.5 hours (6.728 days) Removal In Wastewater Treatment: Total removal: 94.08 percent Total biodegradation: 0.77 percent Total sludge adsorption: 93.03 percent Total to Air: 0.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.155 11.7 1000 Water 1.9 900 1000 Soil 28 1.8e+003 1000 Sediment 70 8.1e+003 0 Persistence Time: 3.1e+003 hr
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