ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl bis(2-propylpentanoate) | C19H36O5

(2S)-3-Hydroxy-1,2-propanediyl bis(2-propylpentanoate)

  • Molecular FormulaC19H36O5
  • Average mass344.486 Da
  • Monoisotopic mass344.256287 Da
  • ChemSpider ID58829665

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Hydroxy-1,2-propandiyl-bis(2-propylpentanoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl bis(2-propylpentanoate) [ACD/IUPAC Name]
Bis(2-propylpentanoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
Pentanoic acid, 2-propyl-, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester [ACD/Index Name]
sn-1,2-di(2-propylpentanoyl)glycerol
di(2-propylC5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 420.8±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 133.1±13.1 °C
Index of Refraction: 1.459
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7343.56
ACD/KOC (pH 5.5): 20361.39
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7343.56
ACD/KOC (pH 7.4): 20361.39
Polar Surface Area: 73 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 347.8±3.0 cm3

Click to predict properties on the Chemicalize site


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