ChemSpider 2D Image | 4,4'-[2,5-Bis(decyloxy)-1,4-phenylene]bis(2-methyl-3-butyn-2-ol) | C36H58O4

4,4'-[2,5-Bis(decyloxy)-1,4-phenylene]bis(2-methyl-3-butyn-2-ol)

  • Molecular FormulaC36H58O4
  • Average mass554.843 Da
  • Monoisotopic mass554.433533 Da
  • ChemSpider ID26515950

More details:

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

3-Butyn-2-ol, 4,4'-[2,5-bis(decyloxy)-1,4-phenylene]bis[2-methyl- [ACD/Index Name]
4,4'-[2,5-Bis(decyloxy)-1,4-phenylen]bis(2-methyl-3-butin-2-ol) [German] [ACD/IUPAC Name]
4,4'-[2,5-Bis(decyloxy)-1,4-phenylene]bis(2-methyl-3-butyn-2-ol) [ACD/IUPAC Name]
4,4'-[2,5-Bis(décyloxy)-1,4-phénylène]bis(2-méthyl-3-butyn-2-ol) [French] [ACD/IUPAC Name]
179264-45-0 [RN]
3-BUTYN-2-OL,4,4'-[2,5-BIS(DECYLOXY)-1,4-PHENYLENE]BIS[2-METHYL-
4,4'-(2,5-bis(decyloxy)-1,4-phenylene)bis(2-methyl-3-butyn-2-ol)
4,4'-[2,5-Bis(decyloxy)-1,4-phenylene]bis(2-methylbut-3-yn-2-ol)
4,4''[2,5-BIS(DECYLOXY)-1,4-PHENYLENE]BIS[2-METHYL-3-BUTYN-2-OL]
4-[2,5-BIS(DECYLOXY)-4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)PHENYL]-2-METHYLBUT-3-YN-2-OL

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

Density: 1.0±0.1 g/cm3
Boiling Point: 665.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 168.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 13.27
ACD/LogD (pH 5.5): 12.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 59 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 550.2±5.0 cm3

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