Chemical Properties of 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-

4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-

InChI
InChI=1S/C11H12O5/c1-14-10(12)8-4-3-6-16-7-5-9(8)11(13)15-2/h3,5-7H,4H2,1-2H3/b6-3-,7-5-,9-8-
InChI Key
BEXZKZFLMYHWDZ-FKOIWDERSA-N
Formula
C11H12O5
SMILES
COC(=O)C1=C(\C(=O)OC)C/C=C\O\C=C\1
Molecular Weight1
224.21
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Physical Properties

Property Value Unit Source
ΔfusH° 30.42 kJ/mol Joback Calculated Property
logPoct/wat 1.077 Crippen Calculated Property
McVol 162.840 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [411.66; 481.01] J/mol×K [634.87; 857.78] Show Hide
Cp,gas 411.66 J/mol×K 634.87 Joback Calculated Property
Cp,gas 425.83 J/mol×K 672.02 Joback Calculated Property
Cp,gas 438.97 J/mol×K 709.17 Joback Calculated Property
Cp,gas 451.09 J/mol×K 746.32 Joback Calculated Property
Cp,gas 462.14 J/mol×K 783.48 Joback Calculated Property
Cp,gas 472.12 J/mol×K 820.63 Joback Calculated Property
Cp,gas 481.01 J/mol×K 857.78 Joback Calculated Property
η [0.0000716; 0.0021200] Pa×s [356.86; 634.87] Show Hide
η 0.0021200 Pa×s 356.86 Joback Calculated Property
η 0.0008712 Pa×s 403.19 Joback Calculated Property
η 0.0004301 Pa×s 449.53 Joback Calculated Property
η 0.0002423 Pa×s 495.86 Joback Calculated Property
η 0.0001505 Pa×s 542.20 Joback Calculated Property
η 0.0001008 Pa×s 588.53 Joback Calculated Property
η 0.0000716 Pa×s 634.87 Joback Calculated Property

Similar Compounds

Methyl-12-cytisine acetate. 11-Allylcytisine. «beta»-angelyl echinatine, diTMS. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. .beta.-isovaleryl echinatine, diTMS. Morazone. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. «beta»-tiglyl echinatine, diTMS. «delta»1-tetrahydrocannabinolic acid, TMS. Cytisine, N-formyl-. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. Physostigmine. Anagyrine. N-acetylcytisine.

Find more compounds similar to 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)-.

Sources

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