Tripropylborane C9H21B structure – Flashcards
Flashcard maker : Patrick Thompson
| Molecular Formula | C9H21B |
| Average mass | 140.074 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 159.0±0.0 °C at 760 mmHg |
| Flash Point | 56.8±18.7 °C |
| Molar Refractivity | 47.2±0.3 cm3 |
| Polarizability | 18.7±0.5 10-24cm3 |
| Surface Tension | 21.2±3.0 dyne/cm |
| Molar Volume | 199.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.7±0.1 g/cm3 |
| Boiling Point: | 159.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 3.3±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.9±3.0 kJ/mol |
| Flash Point: | 56.8±18.7 °C |
| Index of Refraction: | 1.390 |
| Molar Refractivity: | 47.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 6 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.28 |
| ACD/LogD (pH 5.5): | 3.62 |
| ACD/BCF (pH 5.5): | 330.83 |
| ACD/KOC (pH 5.5): | 2213.79 |
| ACD/LogD (pH 7.4): | 3.62 |
| ACD/BCF (pH 7.4): | 330.83 |
| ACD/KOC (pH 7.4): | 2213.79 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 18.7±0.5 10-24cm3 |
| Surface Tension: | 21.2±3.0 dyne/cm |
| Molar Volume: | 199.0±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) = 4.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 141.54 (Adapted Stein & Brown method) Melting Pt (deg C): -62.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.44 (Mean VP of Antoine & Grain methods) MP (exp database): -56 deg C BP (exp database): 159 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.434 log Kow used: 4.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16.206 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.855E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6809 Biowin2 (Non-Linear Model) : 0.7349 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8896 (weeks ) Biowin4 (Primary Survey Model) : 3.6456 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5931 Biowin6 (MITI Non-Linear Model): 0.7534 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7533 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): 420 Pa (3.15 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.14E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.58E-007 Mackay model : 5.71E-007 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.1180 E-12 cm3/molecule-sec Half-Life = 1.173 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.077 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.15E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1586 Log Koc: 3.200 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 = 3.009 (BCF = 1022) log Kow used: 4.82 (estimated) Volatilization from Water: Henry LC: 0.0985 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.215 hours Half-Life from Model Lake : 112.5 hours (4.687 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.28 percent Total biodegradation: 0.16 percent Total sludge adsorption: 44.99 percent Total to Air: 53.13 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.22 28.2 1000 Water 18 360 1000 Soil 62.8 720 1000 Sediment 14 3.24e+003 0 Persistence Time: 336 hr
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