ChemSpider 2D Image | Methyl 3-{[4-(2-thienyl)butanoyl]oxy}-2-naphthoate | C20H18O4S

Methyl 3-{[4-(2-thienyl)butanoyl]oxy}-2-naphthoate

  • Molecular FormulaC20H18O4S
  • Average mass354.419 Da
  • Monoisotopic mass354.092590 Da
  • ChemSpider ID22575304

More details:

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

2-Thiophenebutanoic acid, 3-(methoxycarbonyl)-2-naphthalenyl ester [ACD/Index Name]
3-{[4-(2-Thiényl)butanoyl]oxy}-2-naphtoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[4-(2-thienyl)butanoyl]oxy}-2-naphthoate [ACD/IUPAC Name]
Methyl-3-{[4-(2-thienyl)butanoyl]oxy}-2-naphthoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 502.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±25.9 °C
Index of Refraction: 1.622
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3212.82
ACD/KOC (pH 5.5): 11267.41
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3212.82
ACD/KOC (pH 7.4): 11267.41
Polar Surface Area: 81 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 282.3±3.0 cm3

Click to predict properties on the Chemicalize site


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