ChemSpider 2D Image | 3,3-Dimethyl(1-~2~H)-1-butyne | C6H9D

3,3-Dimethyl(1-2H)-1-butyne

  • Molecular FormulaC6H9D
  • Average mass83.150 Da
  • Monoisotopic mass83.084526 Da
  • ChemSpider ID73948549

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Butyne-1-d, 3,3-dimethyl- [ACD/Index Name]
3,3-Dimethyl(1-2H)-1-butin [German] [ACD/IUPAC Name]
3,3-Dimethyl(1-2H)-1-butyne [ACD/IUPAC Name]
3,3-Diméthyl(1-2H)-1-butyne [French] [ACD/IUPAC Name]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 37.7±0.0 °C at 760 mmHg
Vapour Pressure: 480.9±0.0 mmHg at 25°C
Enthalpy of Vaporization: 27.1±0.8 kJ/mol
Flash Point: -41.2±2.8 °C
Index of Refraction: 1.411
Molar Refractivity: 27.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.68
ACD/KOC (pH 5.5): 511.15
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.68
ACD/KOC (pH 7.4): 511.15
Polar Surface Area: 0 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 23.4±3.0 dyne/cm
Molar Volume: 111.4±3.0 cm3

Click to predict properties on the Chemicalize site


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