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Search term: InChI=1S/C8H14O2/c1-7(2)8(3-5-9)4-6-10/h5,8,10H,1,3-4,6H2,2H3 (Found by conversion of search term to chemical structure (skeleton match))

ChemSpider 2D Image | 3-Isopropylpentanedial | C8H14O2

3-Isopropylpentanedial

  • Molecular FormulaC8H14O2
  • Average mass142.196 Da
  • Monoisotopic mass142.099380 Da
  • ChemSpider ID60820650

More details:






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

3-Isopropylpentandial [German] [ACD/IUPAC Name]
3-Isopropylpentanedial [ACD/IUPAC Name]
3-Isopropylpentanedial [French] [ACD/IUPAC Name]
Pentanedial, 3-(1-methylethyl)- [ACD/Index Name]
16855-76-8 [RN]
MFCD24679459

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

Density: 0.9±0.1 g/cm3
Boiling Point: 227.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.4±3.0 kJ/mol
Flash Point: 82.4±16.8 °C
Index of Refraction: 1.419
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 87.93
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 87.93
Polar Surface Area: 34 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 29.3±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

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