ChemSpider 2D Image | Triethyl (2S)-2-(4-chlorophenyl)-1,1,1-propanetricarboxylate | C18H23ClO6

Triethyl (2S)-2-(4-chlorophenyl)-1,1,1-propanetricarboxylate

  • Molecular FormulaC18H23ClO6
  • Average mass370.825 Da
  • Monoisotopic mass370.118317 Da
  • ChemSpider ID113619335

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophényl)-1,1,1-propanetricarboxylate de triéthyle [French] [ACD/IUPAC Name]
1,1,1-Propanetricarboxylic acid, 2-(4-chlorophenyl)-, triethyl ester, (2S)- [ACD/Index Name]
Triethyl (2S)-2-(4-chlorophenyl)-1,1,1-propanetricarboxylate [ACD/IUPAC Name]
Triethyl-(2S)-2-(4-chlorphenyl)-1,1,1-propantricarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 439.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 148.9±21.9 °C
Index of Refraction: 1.506
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 725.21
ACD/KOC (pH 5.5): 3882.60
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 725.21
ACD/KOC (pH 7.4): 3882.60
Polar Surface Area: 79 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 310.5±3.0 cm3

Click to predict properties on the Chemicalize site


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