Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-methyl, dimethyl ester

InChI

InChI=1S/C11H18O4/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h7-9H,4-6H2,1-3H3

InChI Key

GADRQTDSMCWRTB-UHFFFAOYSA-N

Formula

C11H18O4

SMILES

COC(=O)C1CCC(C)CC1C(=O)OC

Molecular Weight¹

214.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-803.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.96	kJ/mol	Joback Calculated Property
ΔvapH°	77.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	1.385		Crippen Calculated Property
McVol	169.870	ml/mol	McGowan Calculated Property
Inp	[1403.00; 1427.00]
Inp	1403.00		NIST
Inp	1410.00		NIST
Inp	1418.00		NIST
Inp	1427.00		NIST
Tboil	512.54	K	Relay (1.0) Calculated Property
Tc	729.02	K	Relay (1.0) Calculated Property
Tfus	288.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[446.00; 540.99]	J/mol×K	[577.93; 781.14]
Cp,gas	446.00	J/mol×K	577.93	Joback Calculated Property
Cp,gas	464.34	J/mol×K	611.80	Joback Calculated Property
Cp,gas	481.68	J/mol×K	645.67	Joback Calculated Property
Cp,gas	498.03	J/mol×K	679.53	Joback Calculated Property
Cp,gas	513.37	J/mol×K	713.40	Joback Calculated Property
Cp,gas	527.69	J/mol×K	747.27	Joback Calculated Property
Cp,gas	540.99	J/mol×K	781.14	Joback Calculated Property
η	[0.0001977; 0.0034719]	Pa×s	[297.29; 577.93]
η	0.0034719	Pa×s	297.29	Joback Calculated Property
η	0.0015564	Pa×s	344.06	Joback Calculated Property
η	0.0008455	Pa×s	390.84	Joback Calculated Property
η	0.0005232	Pa×s	437.61	Joback Calculated Property
η	0.0003553	Pa×s	484.38	Joback Calculated Property
η	0.0002583	Pa×s	531.16	Joback Calculated Property
η	0.0001977	Pa×s	577.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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