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ChemSpider 2D Image | (2S)-2,4-Pentanediol | C5H12O2

(2S)-2,4-Pentanediol

  • Molecular FormulaC5H12O2
  • Average mass104.148 Da
  • Monoisotopic mass104.083733 Da
  • ChemSpider ID34978528
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2S)-2,4-Pentandiol [German] [ACD/IUPAC Name]
(2S)-2,4-Pentanediol [ACD/IUPAC Name]
(2S)-2,4-Pentanediol [French] [ACD/IUPAC Name]
2,4-Pentanediol, (2S)- [ACD/Index Name]
(2S)-pentane-2,4-diol
(R,R)-2,4-Pentanediol
2,4-Pentanediol [ACD/IUPAC Name] [ACD/Index Name]
36402-52-5 [RN]
42075-32-1 [RN]
625-69-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 199.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.7±6.0 kJ/mol
Flash Point: 101.7±0.0 °C
Index of Refraction: 1.441
Molar Refractivity: 28.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.12
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.12
Polar Surface Area: 40 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 106.8±3.0 cm3

Click to predict properties on the Chemicalize site






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