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ChemSpider 2D Image | MFCD01075596 | C413C2H12O2

MFCD01075596

  • Molecular FormulaC413C2H12O2
  • Average mass118.144 Da
  • Monoisotopic mass118.090439 Da
  • ChemSpider ID49071175
  • Non-standard isotope - Non-standard isotope


More details:






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

(1,2-13C2)Hexanoic acid [ACD/IUPAC Name]
(1,2-13C2)Hexansäure [German] [ACD/IUPAC Name]
58454-02-7 [RN]
Acide (1,2-13C2)hexanoïque [French] [ACD/IUPAC Name]
Caproic acid-1,2-13C2
HEXANOIC ACID-1,2-13C2
Hexanoic-1,2-13C2 acid [ACD/Index Name]
MFCD01075596
"(1,2-¹³C?)HEXANOIC ACID"

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.428
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
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: 12.5±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 122.2±3.0 cm3

Click to predict properties on the Chemicalize site






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