ChemSpider 2D Image | CETYL ISONONANOATE | C25H50O2

CETYL ISONONANOATE

  • Molecular FormulaC25H50O2
  • Average mass382.663 Da
  • Monoisotopic mass382.381073 Da
  • ChemSpider ID32701770

More details:

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

284-424-3 [EINECS]
3,5,5-Triméthylhexanoate d'hexadécyle [French] [ACD/IUPAC Name]
84878-33-1 [RN]
CETYL ISONONANOATE
Hexadecyl 3,5,5-trimethylhexanoate [ACD/IUPAC Name]
Hexadecyl-3,5,5-trimethylhexanoat [German] [ACD/IUPAC Name]
Hexanoic acid, 3,5,5-trimethyl-, hexadecyl ester [ACD/Index Name]

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

UNII:Z371W2270H [DBID]
Z371W2270H [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: 405.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 214.0±11.1 °C
Index of Refraction: 1.450
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 11.32
ACD/LogD (pH 5.5): 10.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 445.1±3.0 cm3

Click to predict properties on the Chemicalize site


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