Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester

InChI

InChI=1S/C22H36O4/c1-15-9-3-7-13-19(15)25-21(23)17-11-5-6-12-18(17)22(24)26-20-14-8-4-10-16(20)2/h15-20H,3-14H2,1-2H3

InChI Key

GWFUSSMLDJQXKE-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

CC1CCCCC1OC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

364.52

• 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°	40.19	kJ/mol	Joback Calculated Property
logPoct/wat	5.037		Crippen Calculated Property
McVol	303.140	ml/mol	McGowan Calculated Property
Inp	[2561.00; 2561.00]
Inp	2561.00		NIST
Inp	2561.00		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	[397.30; 1145.75]	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			-1.45290e+02
Coefficient B			2.27104e+00
Coefficient C			-1.06060e-03
Coefficient D			8.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.30	J/mol×K	273.00	Calculated Property
Cp,gas	528.98	J/mol×K	353.78	Calculated Property
Cp,gas	647.94	J/mol×K	434.56	Calculated Property
Cp,gas	754.42	J/mol×K	515.33	Calculated Property
Cp,gas	848.69	J/mol×K	596.11	Calculated Property
Cp,gas	931.00	J/mol×K	676.89	Calculated Property
Cp,gas	1001.61	J/mol×K	757.67	Calculated Property
Cp,gas	1060.77	J/mol×K	838.44	Calculated Property
Cp,gas	1108.73	J/mol×K	919.22	Calculated Property
Cp,gas	1145.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018750; 0.0001117]	Pa×s	[431.78; 765.98]	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			-1.27434e+01
Coefficient B			2.79114e+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.			431.78
Temperature range, max.			765.98
η	0.0018750	Pa×s	431.78	Calculated Property
η	0.0011238	Pa×s	468.91	Calculated Property
η	0.0007261	Pa×s	506.05	Calculated Property
η	0.0004980	Pa×s	543.18	Calculated Property
η	0.0003585	Pa×s	580.31	Calculated Property
η	0.0002684	Pa×s	617.45	Calculated Property
η	0.0002077	Pa×s	654.58	Calculated Property
η	0.0001652	Pa×s	691.71	Calculated Property
η	0.0001345	Pa×s	728.85	Calculated Property
η	0.0001117	Pa×s	765.98	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) 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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