ChemSpider 2D Image | (4S)-2-Hexyne-1,4-diol | C6H10O2

(4S)-2-Hexyne-1,4-diol

  • Molecular FormulaC6H10O2
  • Average mass114.142 Da
  • Monoisotopic mass114.068077 Da
  • ChemSpider ID26943792
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-2-Hexin-1,4-diol [German] [ACD/IUPAC Name]
(4S)-2-Hexyne-1,4-diol [ACD/IUPAC Name]
(4S)-2-Hexyne-1,4-diol [French] [ACD/IUPAC Name]
2-Hexyne-1,4-diol, (4S)- [ACD/Index Name]
(4S)-hex-2-yne-1,4-diol
279676-02-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 213.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.3±6.0 kJ/mol
Flash Point: 98.1±13.0 °C
Index of Refraction: 1.493
Molar Refractivity: 30.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.96
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.96
Polar Surface Area: 40 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 106.3±3.0 cm3

Click to predict properties on the Chemicalize site






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