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referrals Spectroscopy experimental Physico-chemical nature suspect Physico-chemical nature assorted Gas chromatography
Density: | 1.0±0.1 g/cm3 |
Boiling Point: | 178.7±0.0 °C in ~ 760 mmHg |
Vapour Pressure: | 1.0±0.3 mmHg at 25°C |
Enthalpy the Vaporization: | 41.5±3.0 kJ/mol |
Flash Point: | 62.8±0.0 °C |
Index the Refraction: | 1.567 |
Molar Refractivity: | 33.0±0.3 cm3 |
#H bond acceptors: | 1 |
#H shortcut donors: | 0 |
#Freely Rotating Bonds: | 1 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.64 |
ACD/LogD (pH 5.5): | 1.61 |
ACD/BCF (pH 5.5): | 9.84 |
ACD/KOC (pH 5.5): | 178.83 |
ACD/LogD (pH 7.4): | 1.61 |
ACD/BCF (pH 7.4): | 9.84 |
ACD/KOC (pH 7.4): | 178.83 |
Polar surface ar Area: | 17 Å2 |
Polarizability: | 13.1±0.5 10-24cm3 |
Surface Tension: | 38.8±3.0 dyne/cm |
Molar Volume: | 101.1±3.0 cm3 |
Predicted data is generated using the US environmental Protection Agency’s EPISuite
log in Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 1.71 log in Kow (Exper. Database match) = 1.48 Exper. Ref: Hansch,C et al. (1995) cook Pt, melting Pt, Vapor press Estimations (MPBPWIN v1.42): boil Pt (deg C): 181.22 (Adapted Stein & Brown method) melt Pt (deg C): -21.97 (Mean or weighted MP) VP(mm Hg,25 deg C): 1.01 (Mean VP that Antoine & grain methods) MP (exp database): -26 deg C BP (exp database): 179 deg C VP (exp database): 1.27E+00 mm Hg at 25 deg C Water Solubility calculation from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 6100 log in Kow used: 1.48 (expkow database) no-melting pt equation supplied Water solar (Exper. Database match) = 6570 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol calculation from Fragments: Wat sol (v1.01 est) = 5128.6 mg/L Wat sol (Exper. Database match) = 6570.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law consistent (25 deg C)

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