Found 4 results

Search term: HORIEOQXBKUKGQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Bis(7-methyloctyl) (1R,2R)-1,2-cyclohexanedicarboxylate | C26H48O4

Bis(7-methyloctyl) (1R,2R)-1,2-cyclohexanedicarboxylate

  • Molecular FormulaC26H48O4
  • Average mass424.657 Da
  • Monoisotopic mass424.355255 Da
  • ChemSpider ID32794104
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-1,2-Cyclohexanedicarboxylate de bis(7-méthyloctyle) [French] [ACD/IUPAC Name]
1,2-Cyclohexanedicarboxylic acid, bis(7-methyloctyl) ester, (1R,2R)- [ACD/Index Name]
Bis(7-methyloctyl) (1R,2R)-1,2-cyclohexanedicarboxylate [ACD/IUPAC Name]
Bis(7-methyloctyl)-(1R,2R)-1,2-cyclohexandicarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 489.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 229.6±20.2 °C
Index of Refraction: 1.466
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 9.69
ACD/LogD (pH 5.5): 8.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1223885.75
ACD/LogD (pH 7.4): 8.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1223885.75
Polar Surface Area: 53 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 446.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement