ChemSpider 2D Image | (1r,1'r,4S,4'S)-1,1'-Bi(cyclohexyl)-4,4'-dicarboxylic acid | C14H22O4

(1r,1'r,4S,4'S)-1,1'-Bi(cyclohexyl)-4,4'-dicarboxylic acid

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID123966890

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1r,1'r,4S,4'S)-1,1'-Bi(cyclohexyl)-4,4'-dicarbonsäure [German] [ACD/IUPAC Name]
(1r,1'r,4S,4'S)-1,1'-Bi(cyclohexyl)-4,4'-dicarboxylic acid [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-4,4'-dicarboxylic acid [ACD/Index Name]
Acide (1r,1'r,4S,4'S)-1,1'-bi(cyclohexyl)-4,4'-dicarboxylique [French] [ACD/IUPAC Name]
(trans,trans)-[1,1'-bi(Cyclohexane)]-4,4'-dicarboxylic acid
16200-85-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.7±6.0 kJ/mol
Flash Point: 240.2±25.2 °C
Index of Refraction: 1.534
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 2.58
ACD/KOC (pH 5.5): 27.55
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 211.1±3.0 cm3

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