ChemSpider 2D Image | 6-Hydroxy-5,5-bis(hydroxymethyl)hexanoic acid | C8H16O5

6-Hydroxy-5,5-bis(hydroxymethyl)hexanoic acid

  • Molecular FormulaC8H16O5
  • Average mass192.210 Da
  • Monoisotopic mass192.099777 Da
  • ChemSpider ID34214700

More details:

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

6-Hydroxy-5,5-bis(hydroxymethyl)hexanoic acid [ACD/IUPAC Name]
6-Hydroxy-5,5-bis(hydroxymethyl)hexansäure [German] [ACD/IUPAC Name]
Acide 6-hydroxy-5,5-bis(hydroxyméthyl)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-hydroxy-5,5-bis(hydroxymethyl)- [ACD/Index Name]
98561-06-9 [RN]
MFCD20648327

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

Density: 1.3±0.1 g/cm3
Boiling Point: 463.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.6±6.0 kJ/mol
Flash Point: 248.2±25.2 °C
Index of Refraction: 1.524
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 147.8±3.0 cm3

Click to predict properties on the Chemicalize site


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