ChemSpider 2D Image | (3E)-4-(4-Methoxyphenyl)(4-~2~H)-3-buten-2-one | C11H11DO2

(3E)-4-(4-Methoxyphenyl)(4-2H)-3-buten-2-one

  • Molecular FormulaC11H11DO2
  • Average mass177.218 Da
  • Monoisotopic mass177.090012 Da
  • ChemSpider ID74798265

  • 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

(3E)-4-(4-Methoxyphenyl)(4-2H)-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-4-(4-Methoxyphenyl)(4-2H)-3-buten-2-one [ACD/IUPAC Name]
(3E)-4-(4-Méthoxyphényl)(4-2H)-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one-4-d, 4-(4-methoxyphenyl)-, (3E)- [ACD/Index 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: 319.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 148.3±14.5 °C
Index of Refraction: 1.549
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.58
ACD/KOC (pH 5.5): 421.33
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.58
ACD/KOC (pH 7.4): 421.33
Polar Surface Area: 26 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 168.0±3.0 cm3

Click to predict properties on the Chemicalize site


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