ChemSpider 2D Image | (~2~H_3_)Methyl (2E)-2-propyl-2-pentenoate | C9H13D3O2

(2H3)Methyl (2E)-2-propyl-2-pentenoate

  • Molecular FormulaC9H13D3O2
  • Average mass159.241 Da
  • Monoisotopic mass159.133865 Da
  • ChemSpider ID58794377

  • 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 (2E)-2-propyl-2-pentenoate [ACD/IUPAC Name]
(2H3)Methyl-(2E)-2-propyl-2-pentenoat [German] [ACD/IUPAC Name]
(2E)-2-Propyl-2-penténoate de (2H3)méthyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 2-propyl-, methyl-d3 ester, (2E)- [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: 193.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.0±3.0 kJ/mol
Flash Point: 72.2±9.2 °C
Index of Refraction: 1.435
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.77
ACD/KOC (pH 5.5): 1011.62
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.77
ACD/KOC (pH 7.4): 1011.62
Polar Surface Area: 26 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 27.5±3.0 dyne/cm
Molar Volume: 174.0±3.0 cm3

Click to predict properties on the Chemicalize site


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