ChemSpider 2D Image | (~2~H_3_)Methyl (2Z)-2-methyl-2-butenoate | C6H7D3O2

(2H3)Methyl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC6H7D3O2
  • Average mass117.161 Da
  • Monoisotopic mass117.086906 Da
  • ChemSpider ID58779437

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(2H3)Methyl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2Z)-2-Méthyl-2-buténoate de (2H3)méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, methyl-d3 ester, (2Z)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 123.4±9.0 °C at 760 mmHg
Vapour Pressure: 13.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.1±3.0 kJ/mol
Flash Point: 35.0±0.0 °C
Index of Refraction: 1.420
Molar Refractivity: 31.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.10
ACD/KOC (pH 5.5): 265.59
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.10
ACD/KOC (pH 7.4): 265.59
Polar Surface Area: 26 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 25.2±3.0 dyne/cm
Molar Volume: 124.5±3.0 cm3

Click to predict properties on the Chemicalize site


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