Chemical Properties of 4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, dimethyl ester (CAS 86905-77-3)

InChI

InChI=1S/C11H16O4/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h4,8-9H,5-6H2,1-3H3

InChI Key

GODQWBQDOFWJQS-UHFFFAOYSA-N

Formula

C11H16O4

SMILES

COC(=O)C1CC=C(C)CC1C(=O)OC

Molecular Weight¹

212.24

CAS

86905-77-3

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.72	kJ/mol	Joback Calculated Property
logPoct/wat	1.305		Crippen Calculated Property
McVol	165.570	ml/mol	McGowan Calculated Property
Inp	[1424.00; 1442.00]
Inp	1424.00		NIST
Inp	1429.00		NIST
Inp	1436.00		NIST
Inp	1442.00		NIST
Inp	1424.00		NIST
Tboil	511.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[231.73; 560.44]	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			6.12000e+00
Coefficient B			9.19360e-01
Coefficient C			-3.31240e-04
Coefficient D			-3.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.73	J/mol×K	273.00	Calculated Property
Cp,gas	288.41	J/mol×K	353.78	Calculated Property
Cp,gas	340.31	J/mol×K	434.56	Calculated Property
Cp,gas	387.30	J/mol×K	515.33	Calculated Property
Cp,gas	429.30	J/mol×K	596.11	Calculated Property
Cp,gas	466.17	J/mol×K	676.89	Calculated Property
Cp,gas	497.84	J/mol×K	757.67	Calculated Property
Cp,gas	524.17	J/mol×K	838.44	Calculated Property
Cp,gas	545.08	J/mol×K	919.22	Calculated Property
Cp,gas	560.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026740; 0.0002087]	Pa×s	[314.81; 555.01]	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			-1.18173e+01
Coefficient B			1.85520e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			314.81
Temperature range, max.			555.01
η	0.0026740	Pa×s	314.81	Calculated Property
η	0.0016871	Pa×s	341.50	Calculated Property
η	0.0011380	Pa×s	368.19	Calculated Property
η	0.0008095	Pa×s	394.88	Calculated Property
η	0.0006012	Pa×s	421.56	Calculated Property
η	0.0004627	Pa×s	448.25	Calculated Property
η	0.0003667	Pa×s	474.94	Calculated Property
η	0.0002979	Pa×s	501.63	Calculated Property
η	0.0002471	Pa×s	528.32	Calculated Property
η	0.0002087	Pa×s	555.01	Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, dimethyl ester.

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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