ChemSpider 2D Image | (1S)-2,4-Dimethyl-3-cyclohexene-1-carbaldehyde | C9H14O

(1S)-2,4-Dimethyl-3-cyclohexene-1-carbaldehyde

  • Molecular FormulaC9H14O
  • Average mass138.207 Da
  • Monoisotopic mass138.104462 Da
  • ChemSpider ID30771673

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-2,4-Dimethyl-3-cyclohexen-1-carbaldehyd [German] [ACD/IUPAC Name]
(1S)-2,4-Dimethyl-3-cyclohexene-1-carbaldehyde [ACD/IUPAC Name]
(1S)-2,4-Diméthyl-3-cyclohexène-1-carbaldéhyde [French] [ACD/IUPAC Name]
3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-, (1S)- [ACD/Index Name]
( Z)-vertocitral C

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 189.2±29.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 61.0±16.8 °C
Index of Refraction: 1.512
Molar Refractivity: 43.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.17
ACD/KOC (pH 5.5): 1001.14
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.17
ACD/KOC (pH 7.4): 1001.14
Polar Surface Area: 17 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 144.3±3.0 cm3

Click to predict properties on the Chemicalize site


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