ChemSpider 2D Image | Hexyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate | C14H20O4S

Hexyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate

  • Molecular FormulaC14H20O4S
  • Average mass284.371 Da
  • Monoisotopic mass284.108215 Da
  • ChemSpider ID21398145

More details:

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

2-Thiophenecarboxylic acid, 5-(1,3-dioxolan-2-yl)-, hexyl ester [ACD/Index Name]
5-(1,3-Dioxolan-2-yl)-2-thiophènecarboxylate d'hexyle [French] [ACD/IUPAC Name]
898772-20-8 [RN]
Hexyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Hexyl-5-(1,3-dioxolan-2-yl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
97%
hexyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate
MFCD07699080 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 399.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.2±27.9 °C
Index of Refraction: 1.523
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 770.37
ACD/KOC (pH 5.5): 4054.16
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 770.37
ACD/KOC (pH 7.4): 4054.16
Polar Surface Area: 73 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 244.9±3.0 cm3

Click to predict properties on the Chemicalize site


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