ChemSpider 2D Image | (1,3,3,4,4-~2~H_5_)-1-Heptyne | C7H7D5

(1,3,3,4,4-2H5)-1-Heptyne

  • Molecular FormulaC7H7D5
  • Average mass101.201 Da
  • Monoisotopic mass101.125282 Da
  • ChemSpider ID34998250

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,3,3,4,4-2H5)-1-Heptin [German] [ACD/IUPAC Name]
(1,3,3,4,4-2H5)-1-Heptyne [ACD/IUPAC Name]
(1,3,3,4,4-2H5)-1-Heptyne [French] [ACD/IUPAC Name]
1-Heptyne-1,3,3,4,4-d5 [ACD/Index Name]
1-Heptyne-6,6,7,7,7-d5
83418-35-3 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 99.7±3.0 °C at 760 mmHg
Vapour Pressure: 43.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 32.5±0.8 kJ/mol
Flash Point: -2.2±0.0 °C
Index of Refraction: 1.419
Molar Refractivity: 32.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.83
ACD/KOC (pH 5.5): 1619.85
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.83
ACD/KOC (pH 7.4): 1619.85
Polar Surface Area: 0 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 26.3±3.0 dyne/cm
Molar Volume: 127.8±3.0 cm3

Click to predict properties on the Chemicalize site


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