ChemSpider 2D Image | (3R)-3-Phenyl-4-pentenal | C11H12O

(3R)-3-Phenyl-4-pentenal

  • Molecular FormulaC11H12O
  • Average mass160.212 Da
  • Monoisotopic mass160.088821 Da
  • ChemSpider ID34987548

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Phenyl-4-pentenal [German] [ACD/IUPAC Name]
(3R)-3-Phenyl-4-pentenal [ACD/IUPAC Name]
(3R)-3-Phényl-4-penténal [French] [ACD/IUPAC Name]
Benzenepropanal, β-ethenyl-, (βR)- [ACD/Index Name]
213-356-9 [EINECS]
3-Phenyl-4-pentenal [ACD/IUPAC Name]
939-21-9 [RN]
BENZENEPROPANAL, B-ETHENYL-, (R)-
UNII-8264F86R6A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 231.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.8±3.0 kJ/mol
Flash Point: 100.4±10.2 °C
Index of Refraction: 1.514
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.17
ACD/KOC (pH 5.5): 498.11
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.17
ACD/KOC (pH 7.4): 498.11
Polar Surface Area: 17 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

Click to predict properties on the Chemicalize site


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