ChemSpider 2D Image | (2S)-1,2-Propanediyl dihexanoate | C15H28O4

(2S)-1,2-Propanediyl dihexanoate

  • Molecular FormulaC15H28O4
  • Average mass272.380 Da
  • Monoisotopic mass272.198761 Da
  • ChemSpider ID34991965

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2-Propandiyl-dihexanoat [German] [ACD/IUPAC Name]
(2S)-1,2-Propanediyl dihexanoate [ACD/IUPAC Name]
Dihexanoate de (2S)-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexanoic acid, (1S)-1-methyl-2-[(1-oxohexyl)oxy]ethyl ester [ACD/Index Name]
50343-36-7 [RN]
PROPYLENE GLYCOL DIHEXANOATE
UNII-L37F145LOT

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

Density: 1.0±0.1 g/cm3
Boiling Point: 336.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 154.9±18.8 °C
Index of Refraction: 1.442
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1501.99
ACD/KOC (pH 5.5): 6538.17
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1501.99
ACD/KOC (pH 7.4): 6538.17
Polar Surface Area: 53 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


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