ChemSpider 2D Image | Ethyl (2Z)-2-cyano-3-methyl(5,5,5-~2~H_3_)-2-pentenoate | C9H10D3NO2

Ethyl (2Z)-2-cyano-3-methyl(5,5,5-2H3)-2-pentenoate

  • Molecular FormulaC9H10D3NO2
  • Average mass170.223 Da
  • Monoisotopic mass170.113464 Da
  • ChemSpider ID76837225

  • 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

(2Z)-2-Cyano-3-méthyl(5,5,5-2H3)-2-penténoate d'éthyle [French] [ACD/IUPAC Name]
2-Pentenoic-5,5,5-d3 acid, 2-cyano-3-methyl-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-cyano-3-methyl(5,5,5-2H3)-2-pentenoate [ACD/IUPAC Name]
Ethyl-(2Z)-2-cyan-3-methyl(5,5,5-2H3)-2-pentenoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 256.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 113.8±9.4 °C
Index of Refraction: 1.453
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.24
ACD/KOC (pH 5.5): 490.00
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.24
ACD/KOC (pH 7.4): 490.00
Polar Surface Area: 50 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 167.2±3.0 cm3

Click to predict properties on the Chemicalize site


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