ChemSpider 2D Image | 1-(3-Acetoxy-5-methoxyphenyl)-8-oxo-2-tridecanyl acetate | C24H36O6

1-(3-Acetoxy-5-methoxyphenyl)-8-oxo-2-tridecanyl acetate

  • Molecular FormulaC24H36O6
  • Average mass420.539 Da
  • Monoisotopic mass420.251190 Da
  • ChemSpider ID28589749

More details:

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

1-(3-Acetoxy-5-methoxyphenyl)-8-oxo-2-tridecanyl acetate [ACD/IUPAC Name]
1-(3-Acetoxy-5-methoxyphenyl)-8-oxo-2-tridecanyl-acetat [German] [ACD/IUPAC Name]
6-Tridecanone, 12-(acetyloxy)-13-[3-(acetyloxy)-5-methoxyphenyl]- [ACD/Index Name]
Acétate de 1-(3-acétoxy-5-méthoxyphényl)-8-oxo-2-tridécanyle [French] [ACD/IUPAC Name]
1-(3-Acetoxy-5-methoxyphenyl)-8-oxotridecan-2-yl acetate
1-[3-(ACETYLOXY)-5-METHOXYPHENYL]-8-OXOTRIDECAN-2-YL ACETATE
189456-95-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 231.7±30.2 °C
Index of Refraction: 1.492
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7795.19
ACD/KOC (pH 5.5): 21250.06
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7795.19
ACD/KOC (pH 7.4): 21250.06
Polar Surface Area: 79 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 399.4±3.0 cm3

Click to predict properties on the Chemicalize site


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