ChemSpider 2D Image | 3-Hydroxybutyl palmitate | C20H40O3

3-Hydroxybutyl palmitate

  • Molecular FormulaC20H40O3
  • Average mass328.530 Da
  • Monoisotopic mass328.297760 Da
  • ChemSpider ID52085256

More details:

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

1,3-BUTYLENE GLYCOL 1-MONOPALMITATE
3-Hydroxybutyl palmitate [ACD/IUPAC Name]
3-Hydroxybutylpalmitat [German] [ACD/IUPAC Name]
5384-33-8 [RN]
Hexadecanoic acid, 3-hydroxybutyl ester [ACD/Index Name]
Palmitate de 3-hydroxybutyle [French] [ACD/IUPAC Name]
3-HYDROXYBUTYL HEXADECANOATE

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

BPT4B1656Q [DBID]
UNII:BPT4B1656Q [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 398.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 144.0±13.2 °C
Index of Refraction: 1.457
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 171250.22
ACD/KOC (pH 5.5): 194003.41
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 171250.22
ACD/KOC (pH 7.4): 194003.41
Polar Surface Area: 47 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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