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CSID:62472, http://www.julianum.net/Chemical-Structure.62472.html (accessed 00:12, Nov 12, 2021) CopyCopied




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speculative Physico-chemical properties guess Physico-chemical nature assorted Gas chromatography
Density: 1.3±0.1 g/cm3
Boiling Point: 284.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy that Vaporization: 52.4±3.0 kJ/mol
Flash Point: 136.8±21.8 °C
Index the Refraction: 1.554
Molar Refractivity: 44.6±0.3 cm3
#H link acceptors: 5
#H link donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0

ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.75
ACD/KOC (pH 5.5): 261.74
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.75
ACD/KOC (pH 7.4): 261.74
Polar surface Area: 72 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 139.2±3.0 cm3

Predicted data is produced using the US environmental Protection Agency’s EPISuite™

log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 1.65 log Kow (Exper. Database match) = 1.89 Exper. Ref: Sotomatsu,T et al. (1993) boil Pt, melting Pt, Vapor push Estimations (MPBPWIN v1.42): boiling Pt (deg C): 281.95 (Adapted Stein & Brown method) melting Pt (deg C): 71.14 (Mean or load MP) VP(mm Hg,25 deg C): 0.00159 (Modified serial method) MP (exp database): 78 deg C BP (exp database): 279

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