Benzil C14H10O2 structure – Flashcards
Flashcard maker : Keisha White
Contents
| Molecular Formula | C14H10O2 |
| Average mass | 210.228 Da |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 347.0±11.0 °C at 760 mmHg |
| Flash Point | 142.6±4.9 °C |
| Molar Refractivity | 61.2±0.3 cm3 |
| Polarizability | 24.3±0.5 10-24cm3 |
| Surface Tension | 47.4±3.0 dyne/cm |
| Molar Volume | 180.4±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.2±0.1 g/cm3 |
| Boiling Point: | 347.0±11.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.8 mmHg at 25°C |
| Enthalpy of Vaporization: | 59.1±3.0 kJ/mol |
| Flash Point: | 142.6±4.9 °C |
| Index of Refraction: | 1.594 |
| Molar Refractivity: | 61.2±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.38 |
| ACD/LogD (pH 5.5): | 3.03 |
| ACD/BCF (pH 5.5): | 118.48 |
| ACD/KOC (pH 5.5): | 1061.51 |
| ACD/LogD (pH 7.4): | 3.03 |
| ACD/BCF (pH 7.4): | 118.48 |
| ACD/KOC (pH 7.4): | 1061.51 |
| Polar Surface Area: | 34 Å2 |
| Polarizability: | 24.3±0.5 10-24cm3 |
| Surface Tension: | 47.4±3.0 dyne/cm |
| Molar Volume: | 180.4±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) = 3.56 Log Kow (Exper. database match) = 3.38 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.02 (Adapted Stein & Brown method) Melting Pt (deg C): 98.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28E-005 (Modified Grain method) MP (exp database): 94.8 deg C BP (exp database): 347 deg C VP (exp database): 2.07E-04 mm Hg at 25 deg C Subcooled liquid VP: 0.00101 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): 50.31 log Kow used: 3.38 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.803E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.38 (exp database) Log Kaw used: -6.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.880 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9036 Biowin2 (Non-Linear Model) : 0.9740 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7786 (weeks ) Biowin4 (Primary Survey Model) : 3.5542 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1689 Biowin6 (MITI Non-Linear Model): 0.0877 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3181 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): 0.135 Pa (0.00101 mm Hg) Log Koa (Koawin est ): 9.880 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.23E-005 Octanol/air (Koa) model: 0.00186 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000804 Mackay model : 0.00178 Octanol/air (Koa) model: 0.13 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.5549 E-12 cm3/molecule-sec Half-Life = 3.009 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 36.105 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00129 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 231.4 Log Koc: 2.364 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 = 1.903 (BCF = 79.91) log Kow used: 3.38 (expkow database) Volatilization from Water: Henry LC: 7.73E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.098E+005 hours (4576 days) Half-Life from Model Lake : 1.198E+006 hours (4.992E+004 days) Removal In Wastewater Treatment: Total removal: 10.58 percent Total biodegradation: 0.16 percent Total sludge adsorption: 10.41 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.129 72.2 1000 Water 16.6 360 1000 Soil 82.7 720 1000 Sediment 0.577 3.24e+003 0 Persistence Time: 765 hr
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