Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl pentyl ester

InChI

InChI=1S/C20H33ClO4/c1-2-3-8-13-24-19(22)16-10-5-6-11-17(16)20(23)25-14-15-9-4-7-12-18(15)21/h15-18H,2-14H2,1H3

InChI Key

RYVGHSURQYMIMD-UHFFFAOYSA-N

Formula

C20H33ClO4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

372.93

• 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°	46.30	kJ/mol	Joback Calculated Property
logPoct/wat	4.867		Crippen Calculated Property
McVol	298.060	ml/mol	McGowan Calculated Property
Inp	[2608.00; 2608.00]
Inp	2608.00		NIST
Inp	2608.00		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	[404.13; 1059.11]	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			-7.09150e+01
Coefficient B			1.99222e+00
Coefficient C			-9.46600e-04
Coefficient D			8.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.13	J/mol×K	273.00	Calculated Property
Cp,gas	519.15	J/mol×K	353.78	Calculated Property
Cp,gas	622.99	J/mol×K	434.56	Calculated Property
Cp,gas	715.91	J/mol×K	515.33	Calculated Property
Cp,gas	798.17	J/mol×K	596.11	Calculated Property
Cp,gas	870.06	J/mol×K	676.89	Calculated Property
Cp,gas	931.83	J/mol×K	757.67	Calculated Property
Cp,gas	983.75	J/mol×K	838.44	Calculated Property
Cp,gas	1026.08	J/mol×K	919.22	Calculated Property
Cp,gas	1059.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015413; 0.0001017]	Pa×s	[436.02; 737.89]	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			-1.31206e+01
Coefficient B			2.89756e+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.			436.02
Temperature range, max.			737.89
η	0.0015413	Pa×s	436.02	Calculated Property
η	0.0009588	Pa×s	469.56	Calculated Property
η	0.0006354	Pa×s	503.10	Calculated Property
η	0.0004433	Pa×s	536.64	Calculated Property
η	0.0003227	Pa×s	570.19	Calculated Property
η	0.0002433	Pa×s	603.73	Calculated Property
η	0.0001890	Pa×s	637.27	Calculated Property
η	0.0001506	Pa×s	670.81	Calculated Property
η	0.0001226	Pa×s	704.35	Calculated Property
η	0.0001017	Pa×s	737.89	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl pentyl 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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