ChemSpider 2D Image | 3-(~2~H_3_)Methyl(4,4,4-~2~H_3_)-2-buten-1-ol | C5H4D6O

3-(2H3)Methyl(4,4,4-2H3)-2-buten-1-ol

  • Molecular FormulaC5H4D6O
  • Average mass92.169 Da
  • Monoisotopic mass92.110825 Da
  • ChemSpider ID23936578

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Buten-4,4,4-d3-1-ol, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl(4,4,4-2H3)-2-buten-1-ol [ACD/IUPAC Name]
3-(2H3)Methyl(4,4,4-2H3)-2-buten-1-ol [German] [ACD/IUPAC Name]
3-(2H3)Méthyl(4,4,4-2H3)-2-butén-1-ol [French] [ACD/IUPAC Name]
3-Methyl-2-buten-1-ol-d6 (d5 Major)
4,4,4-trideuterio-3-(trideuteriomethyl)but-2-en-1-ol
53439-16-0 [RN]
Prenol-d6

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

Density: 0.8±0.1 g/cm3
Boiling Point: 141.5±8.0 °C at 760 mmHg
Vapour Pressure: 2.4±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.1±6.0 kJ/mol
Flash Point: 43.3±0.0 °C
Index of Refraction: 1.436
Molar Refractivity: 26.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 78.51
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.12
ACD/KOC (pH 7.4): 78.51
Polar Surface Area: 20 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 26.4±3.0 dyne/cm
Molar Volume: 102.0±3.0 cm3

Click to predict properties on the Chemicalize site


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