ChemSpider 2D Image | (2E)-3,7-Dimethyl-2,6-octadien-1-yl (4-chlorophenyl)acetate | C18H23ClO2

(2E)-3,7-Dimethyl-2,6-octadien-1-yl (4-chlorophenyl)acetate

  • Molecular FormulaC18H23ClO2
  • Average mass306.827 Da
  • Monoisotopic mass306.138672 Da
  • ChemSpider ID58128213

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3,7-Dimethyl-2,6-octadien-1-yl (4-chlorophenyl)acetate [ACD/IUPAC Name]
(2E)-3,7-Dimethyl-2,6-octadien-1-yl-(4-chlorphenyl)acetat [German] [ACD/IUPAC Name]
(4-Chlorophényl)acétate de (2E)-3,7-diméthyl-2,6-octadién-1-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-chloro-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3355280/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 404.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 202.1±20.8 °C
Index of Refraction: 1.524
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 26029.81
ACD/KOC (pH 5.5): 50370.87
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26029.81
ACD/KOC (pH 7.4): 50370.87
Polar Surface Area: 26 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

Click to predict properties on the Chemicalize site


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