ChemSpider 2D Image | HEXANAL-D12 | C6D12O

HEXANAL-D12

  • Molecular FormulaC6D12O
  • Average mass112.233 Da
  • Monoisotopic mass112.164139 Da
  • ChemSpider ID24532693

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H12)Hexanal [ACD/IUPAC Name]
(2H12)Hexanal [German] [ACD/IUPAC Name]
(2H12)Hexanal [French] [ACD/IUPAC Name]
Hexanal-d12 [ACD/Index Name]
HEXANAL-D12
MFCD06658854
1,2,2,3,3,4,4,5,5,6,6,6-dodecadeuteriohexan-1-one
1219803-74-3 [RN]
Hexaldehyde, Caproaldehyde, Hexyl Aldehyde
n-Hexanal-d12

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

Density: 0.8±0.1 g/cm3
Boiling Point: 127.9±3.0 °C at 760 mmHg
Vapour Pressure: 10.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.6±3.0 kJ/mol
Flash Point: 26.2±6.0 °C
Index of Refraction: 1.396
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.14
ACD/KOC (pH 5.5): 339.91
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.14
ACD/KOC (pH 7.4): 339.91
Polar Surface Area: 17 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 25.2±3.0 dyne/cm
Molar Volume: 124.9±3.0 cm3

Click to predict properties on the Chemicalize site


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