ChemSpider 2D Image | 1,6-Hexanediyl bis(3-bromo-4-methylbenzoate) | C22H24Br2O4

1,6-Hexanediyl bis(3-bromo-4-methylbenzoate)

  • Molecular FormulaC22H24Br2O4
  • Average mass512.232 Da
  • Monoisotopic mass510.004120 Da
  • ChemSpider ID4108389

More details:

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

1,6-Hexandiyl-bis(3-brom-4-methylbenzoat) [German] [ACD/IUPAC Name]
1,6-Hexanediyl bis(3-bromo-4-methylbenzoate) [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-methyl-, 1,6-hexanediyl ester [ACD/Index Name]
Bis(3-bromo-4-méthylbenzoate) de 1,6-hexanediyle [French] [ACD/IUPAC Name]
6-(3-BROMO-4-METHYLBENZOYLOXY)HEXYL 3-BROMO-4-METHYLBENZOATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 117.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 215181.14
ACD/KOC (pH 5.5): 228452.86
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 215181.14
ACD/KOC (pH 7.4): 228452.86
Polar Surface Area: 53 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 357.1±3.0 cm3

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