ChemSpider 2D Image | (~2~H_9_)Butyl (~2~H_3_)acetate | C6D12O2

(2H9)Butyl (2H3)acetate

  • Molecular FormulaC6D12O2
  • Average mass128.232 Da
  • Monoisotopic mass128.159058 Da
  • ChemSpider ID24532271
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H3)Acétate de (2H9)butyle [French] [ACD/IUPAC Name]
(2H9)Butyl (2H3)acetate [ACD/IUPAC Name]
(2H9)Butyl-(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, butyl-d9 ester [ACD/Index Name]
n-Butyl Acetate-d12

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 126.6±3.0 °C at 760 mmHg
Vapour Pressure: 11.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.3±0.0 kJ/mol
Flash Point: 22.2±0.0 °C
Index of Refraction: 1.398
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.85
ACD/KOC (pH 5.5): 240.09
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.85
ACD/KOC (pH 7.4): 240.09
Polar Surface Area: 26 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 25.9±3.0 dyne/cm
Molar Volume: 131.1±3.0 cm3

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