ChemSpider 2D Image | 4-Ethyl 1-(2-methyl-2-propanyl) (4S)-1,4-azepanedicarboxylate | C14H25NO4

4-Ethyl 1-(2-methyl-2-propanyl) (4S)-1,4-azepanedicarboxylate

  • Molecular FormulaC14H25NO4
  • Average mass271.353 Da
  • Monoisotopic mass271.178345 Da
  • ChemSpider ID32792383

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-1,4-Azépanedicarboxylate de 4-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1H-Azepine-1,4-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) 4-ethyl ester, (4S)- [ACD/Index Name]
4-Ethyl 1-(2-methyl-2-propanyl) (4S)-1,4-azepanedicarboxylate [ACD/IUPAC Name]
4-Ethyl-1-(2-methyl-2-propanyl)-(4S)-1,4-azepandicarboxylat [German] [ACD/IUPAC 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: 341.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 160.4±25.9 °C
Index of Refraction: 1.470
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.79
ACD/KOC (pH 5.5): 972.18
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.79
ACD/KOC (pH 7.4): 972.18
Polar Surface Area: 56 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

Click to predict properties on the Chemicalize site


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