ChemSpider 2D Image | (2E)-3-Methyl-2-penten-4-ynal | C6H6O

(2E)-3-Methyl-2-penten-4-ynal

  • Molecular FormulaC6H6O
  • Average mass94.111 Da
  • Monoisotopic mass94.041862 Da
  • ChemSpider ID61343399

More details:

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

(2E)-3-Methyl-2-penten-4-inal [German] [ACD/IUPAC Name]
(2E)-3-Methyl-2-penten-4-ynal [ACD/IUPAC Name]
(2E)-3-Méthyl-2-pentén-4-ynal [French] [ACD/IUPAC Name]
2-Penten-4-ynal, 3-methyl-, (2E)- [ACD/Index Name]
74336-72-4 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 127.8±23.0 °C at 760 mmHg
Vapour Pressure: 11.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.6±3.0 kJ/mol
Flash Point: 28.6±17.6 °C
Index of Refraction: 1.456
Molar Refractivity: 27.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 82.10
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.32
ACD/KOC (pH 7.4): 82.10
Polar Surface Area: 17 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 102.1±3.0 cm3

Click to predict properties on the Chemicalize site


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