ChemSpider 2D Image | Diethyl 1,5-dimethyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate | C18H21NO4

Diethyl 1,5-dimethyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID26232643

More details:






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

1,5-Diméthyl-3-phényl-1H-pyrrole-2,4-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2,4-dicarboxylic acid, 1,5-dimethyl-3-phenyl-, diethyl ester [ACD/Index Name]
Diethyl 1,5-dimethyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Diethyl-1,5-dimethyl-3-phenyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
[161560-98-1]
161560-98-1 [RN]
'161560-98-1
1H-Pyrrole-2,4-dicarboxylic acid, 1,5-dimethyl-3-phenyl-, 2,4-diethyl ester
diethyl 1,5-dimethyl-3-phenyl-pyrrole-2,4-dicarboxylate
DIETHYL-1,5-DIMETHYL-3-PHENYL-1H-PYRROLE-2,4-DICARBOXYLATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-29185]
    • Safety:

      20/21/22 Novochemy [NC-29185]
      20/21/36/37/39 Novochemy [NC-29185]
      GHS07; GHS09 Novochemy [NC-29185]
      H332; H403 Novochemy [NC-29185]
      P301+P310; P337+P313 Novochemy [NC-29185]
      Warning Novochemy [NC-29185]
      Xn Novochemy [NC-29185]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 466.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.8±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 88.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1269.43
ACD/KOC (pH 5.5): 5796.46
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1269.43
ACD/KOC (pH 7.4): 5796.46
Polar Surface Area: 58 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 280.2±7.0 cm3

Click to predict properties on the Chemicalize site






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