ChemSpider 2D Image | Hexyl (~2~H_3_)acetate | C8H13D3O2

Hexyl (2H3)acetate

  • Molecular FormulaC8H13D3O2
  • Average mass147.230 Da
  • Monoisotopic mass147.133865 Da
  • ChemSpider ID24533837

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Acétate d'hexyle [French] [ACD/IUPAC Name]
Acetic-d3 acid, hexyl ester [ACD/Index Name]
Hexyl (2H3)acetate [ACD/IUPAC Name]
Hexyl-(2H3)acetat [German] [ACD/IUPAC Name]
1219805-39-6 [RN]
ACETIC ACID HEXYL ESTER
Capryl acetate
n-Hexyl Acetate-d3

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

Density: 0.9±0.1 g/cm3
Boiling Point: 171.5±3.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.8±3.0 kJ/mol
Flash Point: 37.2±0.0 °C
Index of Refraction: 1.413
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.90
ACD/KOC (pH 5.5): 822.06
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.90
ACD/KOC (pH 7.4): 822.06
Polar Surface Area: 26 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 27.3±3.0 dyne/cm
Molar Volume: 164.1±3.0 cm3

Click to predict properties on the Chemicalize site


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