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speculative Physico-chemical properties guess Physico-chemical nature assorted Gas chromatography
Density: | 1.1±0.1 g/cm3 |
Boiling Point: | 197.5±0.0 °C at 760 mmHg |
Vapour Pressure: | 0.1±0.8 mmHg in ~ 25°C |
Enthalpy that Vaporization: | 50.5±6.0 kJ/mol |
Flash Point: | 108.2±13.0 °C |
Index that Refraction: | 1.422 |
Molar Refractivity: | 14.4±0.3 cm3 |
#H link acceptors: | 2 |
#H bond donors: | 2 |
#Freely Rotating Bonds: | 1 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | -1.69 |
ACD/LogD (pH 5.5): | -1.25 |
ACD/BCF (pH 5.5): | 1.00 |
ACD/KOC (pH 5.5): | 4.97 |
ACD/LogD (pH 7.4): | -1.25 |
ACD/BCF (pH 7.4): | 1.00 |
ACD/KOC (pH 7.4): | 4.97 |
Polar surface ar Area: | 40 Å2 |
Polarizability: | 5.7±0.5 10-24cm3 |
Surface Tension: | 43.4±3.0 dyne/cm |
Molar Volume: | 56.6±3.0 cm3 |
Predicted data is created using the US environmental Protection Agency’s EPISuite
log in Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = -1.20 log in Kow (Exper. Database match) = -1.36 Exper. Ref: Hansch,C et al. (1995) cook Pt, melting Pt, Vapor pressure Estimations (MPBPWIN v1.42): boil Pt (deg C): 153.53 (Adapted Stein & Brown method) melt Pt (deg C): -31.62 (Mean or weight MP) VP(mm Hg,25 deg C): 0.0609 (Mean VP the Antoine & grain methods) MP (exp database): -13 deg C BP (exp database): 197.3 deg C VP (exp database): 9.20E-02 mm Hg in ~ 25 deg C Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 1e+006 log Kow used: -1.36 (expkow database) no-melting pt equation supplied Water solar (Exper. Database match) = 1e+006 mg/L ( deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol calculation from Fragments: Wat solar (v1.01 est) = 1e+006 mg/L Wat solar (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)

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