ChemSpider 2D Image | MFCD08702851 | C413C3H14O2


  • Molecular FormulaC413C3H14O2
  • Average mass133.163 Da
  • Monoisotopic mass133.109451 Da
  • ChemSpider ID49071851
  • Non-standard isotope - Non-standard isotope

More details:

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

(5,6,7-13C3)Heptanoic acid [ACD/IUPAC Name]
(5,6,7-13C3)Heptansäure [German] [ACD/IUPAC Name]
1173022-17-7 [RN]
Acide (5,6,7-13C3)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic-5,6,7-13C3 acid [ACD/Index Name]

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: 1.433
Molar Refractivity: 36.0±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: 14.3±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 138.7±3.0 cm3

Click to predict properties on the Chemicalize site