ChemSpider 2D Image | 4,4'-[2,5-Bis(dodecyloxy)-1,4-phenylene]bis(2-methyl-3-butyn-2-ol) | C40H66O4

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

  • Molecular FormulaC40H66O4
  • Average mass610.950 Da
  • Monoisotopic mass610.496094 Da
  • ChemSpider ID8802935

More details:

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

3-Butyn-2-ol, 4,4'-[2,5-bis(dodecyloxy)-1,4-phenylene]bis[2-methyl- [ACD/Index Name]
4,4'-[2,5-Bis(dodecyloxy)-1,4-phenylen]bis(2-methyl-3-butin-2-ol) [German] [ACD/IUPAC Name]
4,4'-[2,5-Bis(dodecyloxy)-1,4-phenylene]bis(2-methyl-3-butyn-2-ol) [ACD/IUPAC Name]
4,4'-[2,5-Bis(dodécyloxy)-1,4-phénylène]bis(2-méthyl-3-butyn-2-ol) [French] [ACD/IUPAC Name]
1,4-bis(3-hydroxy-3-methyl-1-butynyl)-2,5-di(dodecyloxy)benzene
277316-22-0 [RN]
3-BUTYN-2-OL,4,4'-[2,5-BIS(DODECYLOXY)-1,4-PHENYLENE]BIS[2-METHYL-
4,4'-(2,5-bis(dodecyloxy)-1,4-phenylene)bis(2-methyl-3-butyn-2-ol)
4,4'-[2,5-Bis(dodecyloxy)-1,4-phenylene]bis(2-methylbut-3-yn-2-ol)
4-[2,5-BIS(DODECYLOXY)-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: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 186.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 15.40
ACD/LogD (pH 5.5): 13.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 59 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 614.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement