Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isohexyl 2-methoxyethyl ester

InChI

InChI=1S/C17H30O5/c1-13(2)7-6-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-11-20-3/h13-15H,4-12H2,1-3H3

InChI Key

ZFUVEGUFOGCMEN-UHFFFAOYSA-N

Formula

C17H30O5

SMILES

COCCOC(=O)C1CCCCC1C(=O)OCCCC(C)C

Molecular Weight¹

314.42

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.09	kJ/mol	Joback Calculated Property
logPoct/wat	2.962		Crippen Calculated Property
McVol	260.280	ml/mol	McGowan Calculated Property
Inp	[2089.00; 2089.00]
Inp	2089.00		NIST
Inp	2089.00		NIST

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	[378.03; 923.37]	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			2.40500e+00
Coefficient B			1.54756e+00
Coefficient C			-6.29600e-04
Coefficient D			3.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.03	J/mol×K	273.00	Calculated Property
Cp,gas	471.23	J/mol×K	353.78	Calculated Property
Cp,gas	556.26	J/mol×K	434.56	Calculated Property
Cp,gas	633.12	J/mol×K	515.33	Calculated Property
Cp,gas	701.83	J/mol×K	596.11	Calculated Property
Cp,gas	762.39	J/mol×K	676.89	Calculated Property
Cp,gas	814.82	J/mol×K	757.67	Calculated Property
Cp,gas	859.11	J/mol×K	838.44	Calculated Property
Cp,gas	895.29	J/mol×K	919.22	Calculated Property
Cp,gas	923.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020731; 0.0000955]	Pa×s	[376.38; 654.25]	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			-1.34243e+01
Coefficient B			2.72709e+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.			376.38
Temperature range, max.			654.25
η	0.0020731	Pa×s	376.38	Calculated Property
η	0.0011969	Pa×s	407.25	Calculated Property
η	0.0007467	Pa×s	438.13	Calculated Property
η	0.0004957	Pa×s	469.00	Calculated Property
η	0.0003461	Pa×s	499.88	Calculated Property
η	0.0002520	Pa×s	530.75	Calculated Property
η	0.0001900	Pa×s	561.63	Calculated Property
η	0.0001475	Pa×s	592.50	Calculated Property
η	0.0001174	Pa×s	623.38	Calculated Property
η	0.0000955	Pa×s	654.25	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 2-methoxyethyl 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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