Found 3 results

Search term: MF = 'C_{9}H_{15}DO_{3}'
ChemSpider 2D Image | Ethyl (2E)-4-hydroxy-5-methyl(5-~2~H)-2-hexenoate | C9H15DO3

Ethyl (2E)-4-hydroxy-5-methyl(5-2H)-2-hexenoate

  • Molecular FormulaC9H15DO3
  • Average mass173.228 Da
  • Monoisotopic mass173.116226 Da
  • ChemSpider ID8758733

  • 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)-4-Hydroxy-5-méthyl(5-2H)-2-hexénoate d'éthyle [French] [ACD/IUPAC Name]
2-Hexenoic-5-d acid, 4-hydroxy-5-methyl-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-4-hydroxy-5-methyl(5-2H)-2-hexenoate [ACD/IUPAC Name]
Ethyl-(2E)-4-hydroxy-5-methyl(5-2H)-2-hexenoat [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: 254.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 57.1±6.0 kJ/mol
Flash Point: 100.2±15.4 °C
Index of Refraction: 1.458
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 134.66
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.62
ACD/KOC (pH 7.4): 134.66
Polar Surface Area: 47 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 172.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement