Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl ethyl ester

InChI

InChI=1S/C18H30O4/c1-2-21-17(19)15-10-6-7-11-16(15)18(20)22-13-12-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3

InChI Key

ILMFKDURNBJQMG-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCOC(=O)C1CCCCC1C(=O)OCCC1CCCCC1

Molecular Weight¹

310.43

• 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°	35.85	kJ/mol	Joback Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	257.640	ml/mol	McGowan Calculated Property
Inp	[2206.00; 2206.00]
Inp	2206.00		NIST
Inp	2206.00		NIST
Tboil	631.04	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	[346.03; 940.99]	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			-8.79270e+01
Coefficient B			1.82192e+00
Coefficient C			-8.72800e-04
Coefficient D			7.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.03	J/mol×K	273.00	Calculated Property
Cp,gas	450.92	J/mol×K	353.78	Calculated Property
Cp,gas	545.53	J/mol×K	434.56	Calculated Property
Cp,gas	630.10	J/mol×K	515.33	Calculated Property
Cp,gas	704.90	J/mol×K	596.11	Calculated Property
Cp,gas	770.16	J/mol×K	676.89	Calculated Property
Cp,gas	826.15	J/mol×K	757.67	Calculated Property
Cp,gas	873.12	J/mol×K	838.44	Calculated Property
Cp,gas	911.31	J/mol×K	919.22	Calculated Property
Cp,gas	940.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025853; 0.0001158]	Pa×s	[387.80; 683.14]	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			-1.31410e+01
Coefficient B			2.78561e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			387.80
Temperature range, max.			683.14
η	0.0025853	Pa×s	387.80	Calculated Property
η	0.0014761	Pa×s	420.62	Calculated Property
η	0.0009140	Pa×s	453.43	Calculated Property
η	0.0006038	Pa×s	486.25	Calculated Property
η	0.0004204	Pa×s	519.06	Calculated Property
η	0.0003055	Pa×s	551.88	Calculated Property
η	0.0002301	Pa×s	584.69	Calculated Property
η	0.0001787	Pa×s	617.51	Calculated Property
η	0.0001423	Pa×s	650.33	Calculated Property
η	0.0001158	Pa×s	683.14	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl ethyl 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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