ChemSpider 2D Image | 1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl acetate | C21H34O5

1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl acetate

  • Molecular FormulaC21H34O5
  • Average mass366.492 Da
  • Monoisotopic mass366.240631 Da
  • ChemSpider ID22370022

More details:

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

1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl acetate [ACD/IUPAC Name]
1-(3,5-Dihydroxyphenyl)-12-hydroxy-2-tridecanyl-acetat [German] [ACD/IUPAC Name]
1,3-Benzenediol, 5-[2-(acetyloxy)-12-hydroxytridecyl]- [ACD/Index Name]
Acétate de 1-(3,5-dihydroxyphényl)-12-hydroxy-2-tridécanyle [French] [ACD/IUPAC Name]
[1-(3,5-Dihydroxyphenyl)-12-hydroxytridecan-2-yl] acetate
133361-21-4 [RN]
5-(2-Acetoxy-12-hydroxytridecyl)-1,3-benzenediol
BRD-A13189722-001-01-8

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 173.5±16.7 °C
Index of Refraction: 1.526
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1231.60
ACD/KOC (pH 5.5): 5672.07
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1219.76
ACD/KOC (pH 7.4): 5617.53
Polar Surface Area: 87 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 335.4±3.0 cm3

Click to predict properties on the Chemicalize site


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