ChemSpider 2D Image | Tridecyl 2,4,5-trifluoro-3-methoxybenzoate | C21H31F3O3

Tridecyl 2,4,5-trifluoro-3-methoxybenzoate

  • Molecular FormulaC21H31F3O3
  • Average mass388.464 Da
  • Monoisotopic mass388.222534 Da
  • ChemSpider ID29751804

More details:






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

2,4,5-Trifluoro-3-méthoxybenzoate de tridécyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4,5-trifluoro-3-methoxy-, tridecyl ester [ACD/Index Name]
Tridecyl 2,4,5-trifluoro-3-methoxybenzoate [ACD/IUPAC Name]
Tridecyl-2,4,5-trifluor-3-methoxybenzoat [German] [ACD/IUPAC Name]
3-Methoxy-2,4,5-trifluorobenzoic acid, tridecyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 442.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 213.5±23.6 °C
Index of Refraction: 1.466
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 8.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1572136.63
ACD/LogD (pH 7.4): 8.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1572136.63
Polar Surface Area: 36 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 362.0±3.0 cm3

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