ChemSpider 2D Image | Methyl 4-(2-chloro-6-nitrophenyl)-1,3,5-cyclooctatriene-1-carboxylate | C16H14ClNO4

Methyl 4-(2-chloro-6-nitrophenyl)-1,3,5-cyclooctatriene-1-carboxylate

  • Molecular FormulaC16H14ClNO4
  • Average mass319.740 Da
  • Monoisotopic mass319.061127 Da
  • ChemSpider ID26597947

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3,5-Cyclooctatriene-1-carboxylic acid, 4-(2-chloro-6-nitrophenyl)-, methyl ester [ACD/Index Name]
4-(2-Chloro-6-nitrophényl)-1,3,5-cyclooctatriène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(2-chloro-6-nitrophenyl)-1,3,5-cyclooctatriene-1-carboxylate [ACD/IUPAC Name]
Methyl-4-(2-chlor-6-nitrophenyl)-1,3,5-cyclooctatrien-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.1±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.95
ACD/KOC (pH 5.5): 3385.76
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 598.95
ACD/KOC (pH 7.4): 3385.76
Polar Surface Area: 72 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 243.4±3.0 cm3

Click to predict properties on the Chemicalize site


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