ChemSpider 2D Image | Dimethyl 5-(3,4-dicyanophenoxy)isophthalate | C18H12N2O5

Dimethyl 5-(3,4-dicyanophenoxy)isophthalate

  • Molecular FormulaC18H12N2O5
  • Average mass336.298 Da
  • Monoisotopic mass336.074615 Da
  • ChemSpider ID21128074

More details:

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

1,3-Benzenedicarboxylic acid, 5-(3,4-dicyanophenoxy)-, dimethyl ester [ACD/Index Name]
5-(3,4-Dicyanophénoxy)isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-(3,4-dicyanophenoxy)isophthalate [ACD/IUPAC Name]
Dimethyl-5-(3,4-dicyanphenoxy)isophthalat [German] [ACD/IUPAC Name]
1,3-dimethyl 5-(3,4-dicyanophenoxy)benzene-1,3-dicarboxylate
243965-29-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 529.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 228.7±20.3 °C
Index of Refraction: 1.602
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 152.38
ACD/KOC (pH 5.5): 1270.99
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 152.38
ACD/KOC (pH 7.4): 1270.99
Polar Surface Area: 109 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 246.4±5.0 cm3

Click to predict properties on the Chemicalize site


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