ChemSpider 2D Image | Ethyl (~2~H)-2-propynoate | C5H5DO2

Ethyl (2H)-2-propynoate

  • Molecular FormulaC5H5DO2
  • Average mass99.106 Da
  • Monoisotopic mass99.043053 Da
  • ChemSpider ID62979302

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H)-2-Propynoate d'éthyle [French] [ACD/IUPAC Name]
2-Propynoic-3-d acid, ethyl ester [ACD/Index Name]
Ethyl (2H)-2-propynoate [ACD/IUPAC Name]
Ethyl-(2H)propiolat [German] [ACD/IUPAC Name]
59938-67-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 120.0±0.0 °C at 760 mmHg
Vapour Pressure: 15.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.8±3.0 kJ/mol
Flash Point: 23.3±0.0 °C
Index of Refraction: 1.419
Molar Refractivity: 24.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 78.53
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.12
ACD/KOC (pH 7.4): 78.53
Polar Surface Area: 26 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 98.3±3.0 cm3

Click to predict properties on the Chemicalize site


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