ChemSpider 2D Image | Ethyl (4,4,4-~2~H_3_)butanoate | C6H9D3O2

Ethyl (4,4,4-2H3)butanoate

  • Molecular FormulaC6H9D3O2
  • Average mass119.177 Da
  • Monoisotopic mass119.102562 Da
  • ChemSpider ID24532371

  • Non-standard isotope - Non-standard isotope

More details:

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

(4,4,4-2H3)Butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid, ethyl ester [ACD/Index Name]
Ethyl (4,4,4-2H3)butanoate [ACD/IUPAC Name]
Ethyl-(4,4,4-2H3)butanoat [German] [ACD/IUPAC Name]
113435-99-7 [RN]
Butanoic-4,4,4-d3 acid,ethyl ester (9CI)
Butanoic-4,4,4-d3 acid,ethyl ester(9ci)
ethyl 4,4,4-trideuteriobutanoate
Ethyl butanoate
Ethyl Butyrate-4,4,4-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: 122.4±3.0 °C at 760 mmHg
Vapour Pressure: 13.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.5±0.0 kJ/mol
Flash Point: 19.4±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

Click to predict properties on the Chemicalize site


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