Found 1 result

Search term: InChI=1S/C7H12O2/c1-6(2)7(5-9)3-4-8/h4,7,9H,1,3,5H2,2H3 (Found by conversion of search term to chemical structure (skeleton match))

ChemSpider 2D Image | 2-(2-Hydroxyethyl)-3-methyl-2-butenal | C7H12O2

2-(2-Hydroxyethyl)-3-methyl-2-butenal

  • Molecular FormulaC7H12O2
  • Average mass128.169 Da
  • Monoisotopic mass128.083725 Da
  • ChemSpider ID60820657

More details:






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

2-(2-Hydroxyethyl)-3-methyl-2-butenal [German] [ACD/IUPAC Name]
2-(2-Hydroxyethyl)-3-methyl-2-butenal [ACD/IUPAC Name]
2-(2-Hydroxyéthyl)-3-méthyl-2-buténal [French] [ACD/IUPAC Name]
2-Butenal, 2-(2-hydroxyethyl)-3-methyl- [ACD/Index Name]
29921-88-8 [RN]
MFCD24679471

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

Density: 1.0±0.1 g/cm3
Boiling Point: 259.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.8±6.0 kJ/mol
Flash Point: 107.7±15.2 °C
Index of Refraction: 1.456
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.66
ACD/KOC (pH 5.5): 135.18
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.66
ACD/KOC (pH 7.4): 135.18
Polar Surface Area: 37 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 132.1±3.0 cm3

Click to predict properties on the Chemicalize site






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