ChemSpider 2D Image | (1E)-1-{[6-Methyl-3-(3-methylbutyl)-2-heptanyl]oxy}-1-docosen-1-ol | C35H70O2

(1E)-1-{[6-Methyl-3-(3-methylbutyl)-2-heptanyl]oxy}-1-docosen-1-ol

  • Molecular FormulaC35H70O2
  • Average mass522.929 Da
  • Monoisotopic mass522.537598 Da
  • ChemSpider ID95737755

More details:

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

(1E)-1-{[6-Methyl-3-(3-methylbutyl)-2-heptanyl]oxy}-1-docosen-1-ol [German] [ACD/IUPAC Name]
(1E)-1-{[6-Methyl-3-(3-methylbutyl)-2-heptanyl]oxy}-1-docosen-1-ol [ACD/IUPAC Name]
(1E)-1-{[6-Méthyl-3-(3-méthylbutyl)-2-heptanyl]oxy}-1-docosén-1-ol [French] [ACD/IUPAC Name]
1-Docosen-1-ol, 1-[[1,5-dimethyl-2-(3-methylbutyl)hexyl]oxy]-, (1E)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 582.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 219.1±22.1 °C
Index of Refraction: 1.465
Molar Refractivity: 167.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 14.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 605.1±3.0 cm3

Click to predict properties on the Chemicalize site


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