ChemSpider 2D Image | 1,2-Dichloro-1,1-butanediol | C4H8Cl2O2

1,2-Dichloro-1,1-butanediol

  • Molecular FormulaC4H8Cl2O2
  • Average mass159.011 Da
  • Monoisotopic mass157.990128 Da
  • ChemSpider ID35764637

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,1-Butanediol, 1,2-dichloro- [ACD/Index Name]
1,2-Dichlor-1,1-butandiol [German] [ACD/IUPAC Name]
1,2-Dichloro-1,1-butanediol [ACD/IUPAC Name]
1,2-Dichloro-1,1-butanediol [French] [ACD/IUPAC Name]
1,2-Dichlorobutane-1,1-diol
28903-23-3 [RN]
BUTANEDIOL, DICHLORO-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 191.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.7±6.0 kJ/mol
Flash Point: 69.3±27.3 °C
Index of Refraction: 1.502
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.73
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 39.48
Polar Surface Area: 40 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 112.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement