ChemSpider 2D Image | (2R,3R)-2,3-Dichloro-1,4-butanediol | C4H8Cl2O2

(2R,3R)-2,3-Dichloro-1,4-butanediol

  • Molecular FormulaC4H8Cl2O2
  • Average mass159.011 Da
  • Monoisotopic mass157.990128 Da
  • ChemSpider ID61478341

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,3-Dichlor-1,4-butandiol [German] [ACD/IUPAC Name]
(2R,3R)-2,3-Dichloro-1,4-butanediol [ACD/IUPAC Name]
(2R,3R)-2,3-Dichloro-1,4-butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol, 2,3-dichloro-, (2R,3R)- [ACD/Index Name]
1092695-91-4 [RN]
63783-49-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 315.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.6±6.0 kJ/mol
Flash Point: 144.7±26.5 °C
Index of Refraction: 1.500
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.93
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.93
Polar Surface Area: 40 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 113.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement