T-Butyl Alcohol Density G/Ml, Tert Butyl Alcohol At Thomas Scientific

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Density: 0.8±0.1 g/cm3
Boiling Point: 84.6±8.0 °C at 760 mmHg
Vapour Pressure: 46.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.9±6.0 kJ/mol
Flash Point: 11.7±0.0 °C
Index of Refraction: 1.395
Molar Refractivity: 22.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0

ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 58.95
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 58.95
Polar Surface Area: 20 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 23.6±3.0 dyne/cm
Molar Volume: 92.1±3.0 cm3

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Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.73 Log Kow (Exper. database match) = 0.35 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 70.42 (Adapted Stein & Brown method) Melting Pt (deg C): -73.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 46.9 (Modified Grain method) MP (exp database): 25.4 deg C BP (exp database): 82.4 deg C VP (exp database): 4.07E+01 mm Hg at 25 deg C Subcooled liquid VP: 41.1 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): 2.175e+005 log Kow used: 0.35 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.511e+005 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) : Bond Method : 9.99E-006 atm-m3/mole Group Method: 1.04E-005 atm-m3/mole Exper Database: 9.05E-06 atm-m3/mole Henrys LC : 2.103E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Log Kow used: 0.35 (exp database) Log Kaw used: -3.432 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.782 Log Koa (experimental database): 3.500 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5283 Biowin2 (Non-Linear Model) : 0.5580 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8232 (weeks ) Biowin4 (Primary Survey Model) : 3.5874 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5605 Biowin6 (MITI Non-Linear Model): 0.6991 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2631 Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 5.48E+003 Pa (41.1 mm Hg) Log Koa (Exp database): 3.500 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.47E-010 Octanol/air (Koa) model: 7.76E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.98E-008 Mackay model : 4.38E-008 Octanol/air (Koa) model: 6.21E-008 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.6904 E-12 cm3/molecule-sec Half-Life = 6.327 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 75.930 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.18E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.471 Log Koc: 0.168 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.35 (expkow database) Volatilization from Water: Henry LC: 9.05E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 56.58 hours (2.357 days) Half-Life from Model Lake : 689.4 hours (28.72 days) Removal In Wastewater Treatment: Total removal: 2.35 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.51 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.94 229 1000 Water 44.5 360 1000 Soil 47.5 720 1000 Sediment 0.083 3.24e+003 0 Persistence Time: 358 hr

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