ChemSpider 2D Image | Diphenyl 3-thienylmalonate | C19H14O4S

Diphenyl 3-thienylmalonate

  • Molecular FormulaC19H14O4S
  • Average mass338.377 Da
  • Monoisotopic mass338.061279 Da
  • ChemSpider ID57444038

More details:

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

3-Thiénylmalonate de diphényle [French] [ACD/IUPAC Name]
Diphenyl 3-thienylmalonate [ACD/IUPAC Name]
Diphenyl-3-thienylmalonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-(3-thienyl)-, diphenyl ester [ACD/Index Name]
61291-37-0 [RN]
Diphenyl (thiophen-3-yl)propanedioate
PROPANEDIOIC ACID, 3-THIENYL-, DIPHENYL ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.7±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1295.67
ACD/KOC (pH 5.5): 5881.84
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1289.44
ACD/KOC (pH 7.4): 5853.61
Polar Surface Area: 81 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 260.0±3.0 cm3

Click to predict properties on the Chemicalize site


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