ChemSpider 2D Image | 4-Nitro-5-[2-oxo-2-(2-thienyl)ethyl]phthalic acid | C14H9NO7S

4-Nitro-5-[2-oxo-2-(2-thienyl)ethyl]phthalic acid

  • Molecular FormulaC14H9NO7S
  • Average mass335.289 Da
  • Monoisotopic mass335.009979 Da
  • ChemSpider ID58876249

More details:

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

1,2-Benzenedicarboxylic acid, 4-nitro-5-[2-oxo-2-(2-thienyl)ethyl]- [ACD/Index Name]
4-Nitro-5-[2-oxo-2-(2-thienyl)ethyl]phthalic acid [ACD/IUPAC Name]
4-Nitro-5-[2-oxo-2-(2-thienyl)ethyl]phthalsäure [German] [ACD/IUPAC Name]
Acide 4-nitro-5-[2-oxo-2-(2-thiényl)éthyl]phtalique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 607.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.3±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 208.0±3.0 cm3

Click to predict properties on the Chemicalize site


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