ChemSpider 2D Image | MFCD00274212 | C18H30O6

MFCD00274212

  • Molecular FormulaC18H30O6
  • Average mass342.427 Da
  • Monoisotopic mass342.204254 Da
  • ChemSpider ID21762981

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1s,3s,5s)-1,3,5-Tripropyl-1,3,5-cyclohexanetricarboxylic acid [ACD/IUPAC Name]
(1s,3s,5s)-1,3,5-Tripropyl-1,3,5-cyclohexantricarbonsäure [German] [ACD/IUPAC Name]
1,3,5-Cyclohexanetricarboxylic acid, 1,3,5-tripropyl-, (1α,3α,5α)- [ACD/Index Name]
129063-52-1 [RN]
Acide (1s,3s,5s)-1,3,5-tripropyl-1,3,5-cyclohexanetricarboxylique [French] [ACD/IUPAC Name]
MFCD00274212
1,3,5-Tripropyl-1,3,5-cyclohexanetricarboxylic acid [ACD/IUPAC Name]
CIS,CIS-1,3,5-TRIPROPYL-1,3,5-CYCLOHEXANETRICARBOXYLIC ACID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 445.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 237.1±25.2 °C
Index of Refraction: 1.494
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 11.94
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

Click to predict properties on the Chemicalize site


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