ChemSpider 2D Image | 5-(~2~H_3_)Methyl-2-[(~2~H_7_)-2-propanyl](~2~H_3_)phenol | C10HD13O

5-(2H3)Methyl-2-[(2H7)-2-propanyl](2H3)phenol

  • Molecular FormulaC10HD13O
  • Average mass163.298 Da
  • Monoisotopic mass163.186066 Da
  • ChemSpider ID24533506

  • Non-standard isotope - Non-standard isotope

More details:

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

5-(2H3)Methyl-2-[(2H7)-2-propanyl](2H3)phenol [German] [ACD/IUPAC Name]
5-(2H3)Methyl-2-[(2H7)-2-propanyl](2H3)phenol [ACD/IUPAC Name]
5-(2H3)Méthyl-2-[(2H7)-2-propanyl](2H3)phénol [French] [ACD/IUPAC Name]
5-(2H3)Methyl-2-[(2H7)propan-2-yl](2H3)phenol
Phenol-2,4,5-d3, 3-(methyl-d3)-6-[1-(methyl-d3)ethyl-1,2,2,2-d4]- [ACD/Index Name]
1219798-93-2 [RN]
2,4,5-trideuterio-6-[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]-3-(trideuteriomethyl)phenol
2-iso-Propyl-d7-5-methyl-d3-phenol-3,4,6-d3
5-methyl-2-(1-methylethyl)phenol
Thymol [ACD/IUPAC Name] [Wiki]

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

Abbott 44090 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 233.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 102.2±0.0 °C
Index of Refraction: 1.523
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.40
ACD/KOC (pH 5.5): 1130.67
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.32
ACD/KOC (pH 7.4): 1129.95
Polar Surface Area: 20 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 154.2±3.0 cm3

Click to predict properties on the Chemicalize site


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