Found 1 result

Search term: InChI=1S/C5H8O3/c1-4(7)2-5(8)3-6/h6H,2-3H2,1H3 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 1-Hydroxy-2,4-pentanedione | C5H8O3

1-Hydroxy-2,4-pentanedione

  • Molecular FormulaC5H8O3
  • Average mass116.115 Da
  • Monoisotopic mass116.047340 Da
  • ChemSpider ID11297212

More details:






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

1-Hydroxy-2,4-pentandion [German] [ACD/IUPAC Name]
1-Hydroxy-2,4-pentanedione [ACD/IUPAC Name]
1-Hydroxy-2,4-pentanedione [French] [ACD/IUPAC Name]
2,4-Pentanedione, 1-hydroxy- [ACD/Index Name]
1-Hydroxypentane-2,4-dione
2,4-Pentanedione, 1-hydroxy- (9CI)
2,4-PENTANEDIONE,1-HYDROXY-
61144-86-3 [RN]
MFCD18812347
Oxyacetylaceton

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

Density: 1.1±0.1 g/cm3
Boiling Point: 212.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.3±6.0 kJ/mol
Flash Point: 96.9±16.9 °C
Index of Refraction: 1.435
Molar Refractivity: 26.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.71
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.30
Polar Surface Area: 54 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 102.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement