ChemSpider 2D Image | MFCD08702825 | C413C3H16O2


  • Molecular FormulaC413C3H16O2
  • Average mass135.179 Da
  • Monoisotopic mass135.125092 Da
  • ChemSpider ID49071925
  • Non-standard isotope - Non-standard isotope

More details:

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

1,7-(2,4,6-13C3)Heptandiol [German] [ACD/IUPAC Name]
1,7-(2,4,6-13C3)Heptanediol [ACD/IUPAC Name]
1,7-(2,4,6-13C3)Heptanediol [French] [ACD/IUPAC Name]
1,7-Heptanediol-2,4,6-13C3 [ACD/Index Name]
Heptamethylene glycol-2,4,6-13C3

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

Density: 0.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.452
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 139.1±3.0 cm3

Click to predict properties on the Chemicalize site