ChemSpider 2D Image | 3-Cyclopropyl-2-propynal | C6H6O

3-Cyclopropyl-2-propynal

  • Molecular FormulaC6H6O
  • Average mass94.111 Da
  • Monoisotopic mass94.041862 Da
  • ChemSpider ID28715898

More details:






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

2-Propynal, 3-cyclopropyl- [ACD/Index Name]
3-Cyclopropyl-2-propinal [German] [ACD/IUPAC Name]
3-Cyclopropyl-2-propynal [ACD/IUPAC Name]
3-Cyclopropyl-2-propynal [French] [ACD/IUPAC Name]
101974-70-3 [RN]
3-CYCLOPROPYLPROP-2-YNAL
MFCD24675828

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

Density: 1.0±0.1 g/cm3
Boiling Point: 163.4±7.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.0±3.0 kJ/mol
Flash Point: 54.6±15.2 °C
Index of Refraction: 1.492
Molar Refractivity: 26.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 104.81
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 104.81
Polar Surface Area: 17 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 90.0±5.0 cm3

Click to predict properties on the Chemicalize site






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