ChemSpider 2D Image | 4-{1-[5,5,8,8-Tetramethyl-3-(~2~H_3_)methyl-5,6,7,8-tetrahydro-2-naphthalenyl]vinyl}benzoic acid | C24H25D3O2

4-{1-[5,5,8,8-Tetramethyl-3-(2H3)methyl-5,6,7,8-tetrahydro-2-naphthalenyl]vinyl}benzoic acid

  • Molecular FormulaC24H25D3O2
  • Average mass351.496 Da
  • Monoisotopic mass351.227753 Da
  • ChemSpider ID111127021

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{1-[5,5,8,8-Tetramethyl-3-(2H3)methyl-5,6,7,8-tetrahydro-2-naphthalenyl]vinyl}benzoic acid [ACD/IUPAC Name]
4-{1-[5,5,8,8-Tetramethyl-3-(2H3)methyl-5,6,7,8-tetrahydro-2-naphthalinyl]vinyl}benzoesäure [German] [ACD/IUPAC Name]
Acide 4-{1-[5,5,8,8-tétraméthyl-3-(2H3)méthyl-5,6,7,8-tétrahydro-2-naphtalényl]vinyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(methyl-d3)-2-naphthalenyl]ethenyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 489.7±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 229.5±23.1 °C
Index of Refraction: 1.556
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 19757.74
ACD/KOC (pH 5.5): 16198.78
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 631.27
ACD/KOC (pH 7.4): 517.56
Polar Surface Area: 37 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

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