ChemSpider 2D Image | (2E)-2-Methyl(4,4,4-~2~H_3_)-2-butenoic acid | C5H5D3O2

(2E)-2-Methyl(4,4,4-2H3)-2-butenoic acid

  • Molecular FormulaC5H5D3O2
  • Average mass103.134 Da
  • Monoisotopic mass103.071259 Da
  • ChemSpider ID23937262

  • 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

(2E)-2-Methyl(4,4,4-2H3)-2-butenoic acid [ACD/IUPAC Name]
(2E)-2-Methyl(4,4,4-2H3)-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic-4,4,4-d3 acid, 2-methyl-, (2E)- [ACD/Index Name]
Acide (2E)-2-méthyl(4,4,4-2H3)-2-buténoïque [French] [ACD/IUPAC Name]
(E)-4,4,4-trideuterio-2-methylbut-2-enoic acid
19146-57-7 [RN]
TIGLIC ACID-D3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 198.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.9±6.0 kJ/mol
Flash Point: 95.9±9.6 °C
Index of Refraction: 1.451
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 31.92
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 99.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement