ChemSpider 2D Image | 2,3,5-Trimethyl-6-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-phenylene diacetate | C33H54O4

2,3,5-Trimethyl-6-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-phenylene diacetate

  • Molecular FormulaC33H54O4
  • Average mass514.779 Da
  • Monoisotopic mass514.402222 Da
  • ChemSpider ID107437314

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Benzenediol, 2,3,5-trimethyl-6-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-, diacetate [ACD/Index Name]
2,3,5-Trimethyl-6-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-phenylen-diacetat [German] [ACD/IUPAC Name]
2,3,5-Trimethyl-6-[(2E)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-phenylene diacetate [ACD/IUPAC Name]
Diacétate de 2,3,5-triméthyl-6-[(2E)-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]-1,4-phénylène [French] [ACD/IUPAC Name]
85314-71-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 556.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 261.4±28.5 °C
Index of Refraction: 1.492
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 11.87
ACD/LogD (pH 5.5): 9.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5718728.00
ACD/LogD (pH 7.4): 9.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5718728.00
Polar Surface Area: 53 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 538.0±3.0 cm3

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