ChemSpider 2D Image | 4-[(~2~H_5_)Ethyloxy]-4-oxo-2-butenoic acid | C6H3D5O4

4-[(2H5)Ethyloxy]-4-oxo-2-butenoic acid

  • Molecular FormulaC6H3D5O4
  • Average mass149.156 Da
  • Monoisotopic mass149.073639 Da
  • ChemSpider ID110417502

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Butenedioic acid, monoethyl-d5 ester [ACD/Index Name]
4-[(2H5)Ethyloxy]-4-oxo-2-butenoic acid [ACD/IUPAC Name]
4-[(2H5)Ethyloxy]-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
Acide 4-[(2H5)éthyloxy]-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 261.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.0±6.0 kJ/mol
Flash Point: 109.6±16.1 °C
Index of Refraction: 1.469
Molar Refractivity: 33.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 119.3±3.0 cm3

Click to predict properties on the Chemicalize site


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