ChemSpider 2D Image | 2,4-Bis[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]phenol | C14H4D18O

2,4-Bis[2-(2H3)methyl(2H6)-2-propanyl]phenol

  • Molecular FormulaC14H4D18O
  • Average mass224.435 Da
  • Monoisotopic mass224.280045 Da
  • ChemSpider ID58778901
  • Non-standard isotope - Non-standard isotope


More details:






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

2,4-Bis[2-(2H3)methyl(2H6)-2-propanyl]phenol [German] [ACD/IUPAC Name]
2,4-Bis[2-(2H3)methyl(2H6)-2-propanyl]phenol [ACD/IUPAC Name]
2,4-Bis[2-(2H3)méthyl(2H6)-2-propanyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2,4-bis[1,1-di(methyl-d3)ethyl-2,2,2-d3]- [ACD/Index Name]
1246816-88-5 [RN]
2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
2,4-di-tert-butylphenol-d18

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 265.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 115.0±0.0 °C
Index of Refraction: 1.499
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2279.83
ACD/KOC (pH 5.5): 8814.20
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2279.68
ACD/KOC (pH 7.4): 8813.59
Polar Surface Area: 20 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 30.1±3.0 dyne/cm
Molar Volume: 221.2±3.0 cm3

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