ChemSpider 2D Image | 4-[(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-1-yn-1-yl]benzoic acid | C20H22O2

4-[(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-1-yn-1-yl]benzoic acid

  • Molecular FormulaC20H22O2
  • Average mass294.388 Da
  • Monoisotopic mass294.161987 Da
  • ChemSpider ID120329989

More details:

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

4-[(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-1-in-1-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-1-yn-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(3E)-4-(2,6,6-triméthyl-1-cyclohexén-1-yl)-3-butén-1-yn-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(3E)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-yn-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 444.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 208.6±21.2 °C
Index of Refraction: 1.584
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.21
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 2618.60
ACD/KOC (pH 5.5): 3971.98
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 77.24
ACD/KOC (pH 7.4): 117.16
Polar Surface Area: 37 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 264.6±5.0 cm3

Click to predict properties on the Chemicalize site


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