Found 11 results

Search term: MF = 'C_{49}H_{76}O_{3}'
ChemSpider 2D Image | 1,1',1''-Methanetriyltris[3-methyl-5-(2-methyl-2-propanyl)-2-(pentyloxy)benzene] | C49H76O3

1,1',1''-Methanetriyltris[3-methyl-5-(2-methyl-2-propanyl)-2-(pentyloxy)benzene]

  • Molecular FormulaC49H76O3
  • Average mass713.126 Da
  • Monoisotopic mass712.579468 Da
  • ChemSpider ID9495024

More details:

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

1,1',1''-Methanetriyltris[3-methyl-5-(2-methyl-2-propanyl)-2-(pentyloxy)benzene] [ACD/IUPAC Name]
1,1',1''-Méthanetriyltris[3-méthyl-5-(2-méthyl-2-propanyl)-2-(pentyloxy)benzène] [French] [ACD/IUPAC Name]
1,1',1''-Methantriyltris[3-methyl-5-(2-methyl-2-propanyl)-2-(pentyloxy)benzol] [German] [ACD/IUPAC Name]
Benzene, 1,1',1''-methylidynetris[5-(1,1-dimethylethyl)-3-methyl-2-(pentyloxy)- [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: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 247.2±30.2 °C
Index of Refraction: 1.511
Molar Refractivity: 225.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 18.26
ACD/LogD (pH 5.5): 16.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 28 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 751.7±3.0 cm3

Click to predict properties on the Chemicalize site


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