ChemSpider 2D Image | 4,7-Dimethyl-2,9-bis[(~2~H_3_)methyl](1,1,1,2,9,10,10,10-~2~H_8_)-5-decyne-4,7-diol | C14H12D14O2

4,7-Dimethyl-2,9-bis[(2H3)methyl](1,1,1,2,9,10,10,10-2H8)-5-decyne-4,7-diol

  • Molecular FormulaC14H12D14O2
  • Average mass240.441 Da
  • Monoisotopic mass240.281158 Da
  • ChemSpider ID76842824

  • Non-standard isotope - Non-standard isotope

More details:

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

4,7-Dimethyl-2,9-bis[(2H3)methyl](1,1,1,2,9,10,10,10-2H8)-5-decin-4,7-diol [German] [ACD/IUPAC Name]
4,7-Dimethyl-2,9-bis[(2H3)methyl](1,1,1,2,9,10,10,10-2H8)-5-decyne-4,7-diol [ACD/IUPAC Name]
4,7-Diméthyl-2,9-bis[(2H3)méthyl](1,1,1,2,9,10,10,10-2H8)-5-décyne-4,7-diol [French] [ACD/IUPAC Name]
5-Decyne-1,1,1,2,9,10,10,10-d8-4,7-diol, 4,7-dimethyl-2,9-di(methyl-d3)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 252.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.9±6.0 kJ/mol
Flash Point: 97.3±13.0 °C
Index of Refraction: 1.480
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.27
ACD/KOC (pH 5.5): 942.00
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.27
ACD/KOC (pH 7.4): 942.00
Polar Surface Area: 40 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 238.8±3.0 cm3

Click to predict properties on the Chemicalize site


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