Di(p-tolyl)methane C15H16 structure – Flashcards
Flashcard maker : Claire Forth
Contents
| Molecular Formula | C15H16 |
| Average mass | 196.288 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 286.0±0.0 °C at 760 mmHg |
| Flash Point | 135.2±12.5 °C |
| Molar Refractivity | 65.2±0.3 cm3 |
| Polarizability | 25.9±0.5 10-24cm3 |
| Surface Tension | 36.1±3.0 dyne/cm |
| Molar Volume | 201.4±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 286.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 50.4±0.8 kJ/mol |
| Flash Point: | 135.2±12.5 °C |
| Index of Refraction: | 1.561 |
| Molar Refractivity: | 65.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.13 |
| ACD/LogD (pH 5.5): | 4.82 |
| ACD/BCF (pH 5.5): | 2706.73 |
| ACD/KOC (pH 5.5): | 9966.44 |
| ACD/LogD (pH 7.4): | 4.82 |
| ACD/BCF (pH 7.4): | 2706.73 |
| ACD/KOC (pH 7.4): | 9966.44 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 25.9±0.5 10-24cm3 |
| Surface Tension: | 36.1±3.0 dyne/cm |
| Molar Volume: | 201.4±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) = 5.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.17 (Adapted Stein & Brown method) Melting Pt (deg C): 62.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00385 (Modified Grain method) MP (exp database): 28 deg C BP (exp database): 286 deg C Subcooled liquid VP: 0.00409 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.976 log Kow used: 5.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.32797 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.85E-004 atm-m3/mole Group Method: 1.09E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.032E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.11 (KowWin est) Log Kaw used: -1.621 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.731 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8181 Biowin2 (Non-Linear Model) : 0.8757 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5408 (weeks-months) Biowin4 (Primary Survey Model) : 3.3589 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2211 Biowin6 (MITI Non-Linear Model): 0.1558 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7927 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.9090 BioHC Half-Life (days) : 8.1089 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.545 Pa (0.00409 mm Hg) Log Koa (Koawin est ): 6.731 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.5E-006 Octanol/air (Koa) model: 1.32E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000199 Mackay model : 0.00044 Octanol/air (Koa) model: 0.000106 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.6091 E-12 cm3/molecule-sec Half-Life = 0.786 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.431 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000319 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.962E+004 Log Koc: 4.472 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 = 3.235 (BCF = 1717) log Kow used: 5.11 (estimated) Volatilization from Water: Henry LC: 0.000109 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.955 hours Half-Life from Model Lake : 215.2 hours (8.965 days) Removal In Wastewater Treatment: Total removal: 81.19 percent Total biodegradation: 0.69 percent Total sludge adsorption: 79.72 percent Total to Air: 0.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.662 18.9 1000 Water 8.98 900 1000 Soil 64.3 1.8e+003 1000 Sediment 26 8.1e+003 0 Persistence Time: 1.35e+003 hr
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