ChemSpider 2D Image | Isopropyl (2E)-2-methyl-2-pentenoate | C9H16O2

Isopropyl (2E)-2-methyl-2-pentenoate

  • Molecular FormulaC9H16O2
  • Average mass156.222 Da
  • Monoisotopic mass156.115036 Da
  • ChemSpider ID35517743
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-Méthyl-2-penténoate d'isopropyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 2-methyl-, 1-methylethyl ester, (2E)- [ACD/Index Name]
Isopropyl (2E)-2-methyl-2-pentenoate [ACD/IUPAC Name]
Isopropyl-(2E)-2-methyl-2-pentenoat [German] [ACD/IUPAC Name]
1-methylethyl (e)-2-methyl-2-pentenoate

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

Density: 0.9±0.1 g/cm3
Boiling Point: 187.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.4±3.0 kJ/mol
Flash Point: 65.5±6.6 °C
Index of Refraction: 1.434
Molar Refractivity: 45.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.71
ACD/KOC (pH 5.5): 984.95
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.71
ACD/KOC (pH 7.4): 984.95
Polar Surface Area: 26 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 26.5±3.0 dyne/cm
Molar Volume: 174.4±3.0 cm3

Click to predict properties on the Chemicalize site






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