ChemSpider 2D Image | 3-(3-Methylphenyl)-3,4-pentadien-2-one | C12H12O

3-(3-Methylphenyl)-3,4-pentadien-2-one

  • Molecular FormulaC12H12O
  • Average mass172.223 Da
  • Monoisotopic mass172.088821 Da
  • ChemSpider ID30659089

More details:

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

3-(3-Methylphenyl)-3,4-pentadien-2-on [German] [ACD/IUPAC Name]
3-(3-Methylphenyl)-3,4-pentadien-2-one [ACD/IUPAC Name]
3-(3-Méthylphényl)-3,4-pentadién-2-one [French] [ACD/IUPAC Name]
3,4-Pentadien-2-one, 3-(3-methylphenyl)- [ACD/Index Name]
1196720-59-8 [RN]
MFCD24712410

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

Density: 1.0±0.1 g/cm3
Boiling Point: 331.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 124.2±21.6 °C
Index of Refraction: 1.517
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.63
ACD/KOC (pH 5.5): 1254.57
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.63
ACD/KOC (pH 7.4): 1254.57
Polar Surface Area: 17 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 22.6±3.0 dyne/cm
Molar Volume: 180.3±3.0 cm3

Click to predict properties on the Chemicalize site


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