Chemical Properties of 4H-Oxocin-5,6-dicarboxylic acid, dimethyl ester, (Z,Z,E)- (CAS 39622-57-6)

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)CC=COC=C1

Molecular Weight¹

224.21

CAS

39622-57-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.97; 485.65]	J/mol×K	[670.81; 897.56]
Cp,gas	418.97	J/mol×K	670.81	Joback Calculated Property
Cp,gas	432.55	J/mol×K	708.60	Joback Calculated Property
Cp,gas	445.17	J/mol×K	746.39	Joback Calculated Property
Cp,gas	456.82	J/mol×K	784.18	Joback Calculated Property
Cp,gas	467.47	J/mol×K	821.97	Joback Calculated Property
Cp,gas	477.08	J/mol×K	859.76	Joback Calculated Property
Cp,gas	485.65	J/mol×K	897.56	Joback Calculated Property
η	[0.0000842; 0.0010001]	Pa×s	[416.52; 670.81]
η	0.0010001	Pa×s	416.52	Joback Calculated Property
η	0.0005474	Pa×s	458.90	Joback Calculated Property
η	0.0003317	Pa×s	501.28	Joback Calculated Property
η	0.0002173	Pa×s	543.66	Joback Calculated Property
η	0.0001514	Pa×s	586.05	Joback Calculated Property
η	0.0001107	Pa×s	628.43	Joback Calculated Property
η	0.0000842	Pa×s	670.81	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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