ChemSpider 2D Image | (2S,4S)-4-Chloro-2-pentanol | C5H11ClO

(2S,4S)-4-Chloro-2-pentanol

  • Molecular FormulaC5H11ClO
  • Average mass122.593 Da
  • Monoisotopic mass122.049843 Da
  • ChemSpider ID62606796

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Chlor-2-pentanol [German] [ACD/IUPAC Name]
(2S,4S)-4-Chloro-2-pentanol [ACD/IUPAC Name]
(2S,4S)-4-Chloro-2-pentanol [French] [ACD/IUPAC Name]
2-Pentanol, 4-chloro-, (2S,4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 178.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.7 mmHg at 25°C
Enthalpy of Vaporization: 48.3±6.0 kJ/mol
Flash Point: 81.4±15.3 °C
Index of Refraction: 1.435
Molar Refractivity: 31.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.47
ACD/KOC (pH 5.5): 160.55
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.47
ACD/KOC (pH 7.4): 160.55
Polar Surface Area: 20 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 120.7±3.0 cm3

Click to predict properties on the Chemicalize site


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