ChemSpider 2D Image | 4-Methyl-5-thiazolylethanyl octanoate | C14H23NO2S

4-Methyl-5-thiazolylethanyl octanoate

  • Molecular FormulaC14H23NO2S
  • Average mass269.403 Da
  • Monoisotopic mass269.144958 Da
  • ChemSpider ID21105955

More details:

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

102175-98-4 [RN]
163266-17-9 [RN]
2-(4-Methyl-1,3-thiazol-5-yl)ethyl octanoate [ACD/IUPAC Name]
2-(4-Methyl-1,3-thiazol-5-yl)ethyl-octanoat [German] [ACD/IUPAC Name]
2-(4-Methyl-5-thiazolyl)ethyl octanoate
4-Methyl-5-thiazolylethanyl octanoate
Octanoate de 2-(4-méthyl-1,3-thiazol-5-yl)éthyle [French] [ACD/IUPAC Name]
Octanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester [ACD/Index Name]
2-(4-Methylthiazol-5-yl)ethyl octanoate

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

1P83YTY662 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 368.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 176.4±23.7 °C
Index of Refraction: 1.503
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1750.08
ACD/KOC (pH 5.5): 7284.33
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1758.34
ACD/KOC (pH 7.4): 7318.71
Polar Surface Area: 67 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 256.8±3.0 cm3

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