Chemical Properties of cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid (CAS 40469-16-7)

InChI

InChI=1S/C9H12O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-3,5-7H,4H2,1H3,(H,10,11)(H,12,13)

InChI Key

ZPRXNOLDOXHXIQ-UHFFFAOYSA-N

Formula

C9H12O4

SMILES

CC1C=CCC(C(=O)O)C1C(=O)O

Molecular Weight¹

184.19

CAS

40469-16-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.59; 472.30]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.20400e+01
Coefficient B			9.73520e-01
Coefficient C			-5.68480e-04
Coefficient D			1.09300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.59	J/mol×K	273.00	Calculated Property
Cp,gas	236.06	J/mol×K	353.78	Calculated Property
Cp,gas	282.63	J/mol×K	434.56	Calculated Property
Cp,gas	323.64	J/mol×K	515.33	Calculated Property
Cp,gas	359.43	J/mol×K	596.11	Calculated Property
Cp,gas	390.36	J/mol×K	676.89	Calculated Property
Cp,gas	416.76	J/mol×K	757.67	Calculated Property
Cp,gas	438.99	J/mol×K	838.44	Calculated Property
Cp,gas	457.39	J/mol×K	919.22	Calculated Property
Cp,gas	472.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009518; 0.0003703]	Pa×s	[512.05; 653.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.13100e+01
Coefficient B			2.22889e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			512.05
Temperature range, max.			653.88
η	0.0009518	Pa×s	512.05	Calculated Property
η	0.0008358	Pa×s	527.81	Calculated Property
η	0.0007395	Pa×s	543.57	Calculated Property
η	0.0006588	Pa×s	559.33	Calculated Property
η	0.0005907	Pa×s	575.09	Calculated Property
η	0.0005326	Pa×s	590.85	Calculated Property
η	0.0004829	Pa×s	606.60	Calculated Property
η	0.0004400	Pa×s	622.36	Calculated Property
η	0.0004028	Pa×s	638.12	Calculated Property
η	0.0003703	Pa×s	653.88	Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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