ChemSpider 2D Image | Diethyl trans-1,4-cyclohexanedicarboxylate | C12H20O4

Diethyl trans-1,4-cyclohexanedicarboxylate

  • Molecular FormulaC12H20O4
  • Average mass228.285 Da
  • Monoisotopic mass228.136154 Da
  • ChemSpider ID28290175

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4-Cyclohexanedicarboxylic acid, diethyl ester, trans- [ACD/Index Name]
19145-96-1 [RN]
Diethyl trans-1,4-cyclohexanedicarboxylate [ACD/IUPAC Name]
Diethyl-trans-1,4-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
trans-1,4-Cyclohexanedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
trans-1,4-Cyclohexanedicarboxylic acid 1,4-diethyl ester
(1r,4r)-diethyl cyclohexane-1,4-dicarboxylate
[19145-96-1] [RN]
1,4-diethyl (1r,4r)-cyclohexane-1,4-dicarboxylate
diethyl cyclohexane-trans-1,4-dicarboxylate
More...

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

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 285.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 132.5±18.8 °C
Index of Refraction: 1.460
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.47
ACD/KOC (pH 5.5): 640.32
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.47
ACD/KOC (pH 7.4): 640.32
Polar Surface Area: 53 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 214.7±3.0 cm3

Click to predict properties on the Chemicalize site


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