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

InChI

InChI=1S/C17H27ClO4/c1-2-21-16(19)13-8-4-5-9-14(13)17(20)22-11-12-7-3-6-10-15(12)18/h12-15H,2-11H2,1H3

InChI Key

SGYFWXNKKCRNJO-UHFFFAOYSA-N

Formula

C17H27ClO4

SMILES

CCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

330.85

• 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°	38.53	kJ/mol	Joback Calculated Property
logPoct/wat	3.697		Crippen Calculated Property
McVol	255.790	ml/mol	McGowan Calculated Property
Inp	[2319.00; 2319.00]
Inp	2319.00		NIST
Inp	2319.00		NIST
Tboil	642.46	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	[340.49; 904.33]	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			-6.81880e+01
Coefficient B			1.70722e+00
Coefficient C			-7.83400e-04
Coefficient D			4.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.49	J/mol×K	273.00	Calculated Property
Cp,gas	439.90	J/mol×K	353.78	Calculated Property
Cp,gas	529.75	J/mol×K	434.56	Calculated Property
Cp,gas	610.22	J/mol×K	515.33	Calculated Property
Cp,gas	681.44	J/mol×K	596.11	Calculated Property
Cp,gas	743.58	J/mol×K	676.89	Calculated Property
Cp,gas	796.78	J/mol×K	757.67	Calculated Property
Cp,gas	841.20	J/mol×K	838.44	Calculated Property
Cp,gas	877.00	J/mol×K	919.22	Calculated Property
Cp,gas	904.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021516; 0.0001397]	Pa×s	[402.21; 694.11]	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			-1.26433e+01
Coefficient B			2.61508e+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.			402.21
Temperature range, max.			694.11
η	0.0021516	Pa×s	402.21	Calculated Property
η	0.0013245	Pa×s	434.64	Calculated Property
η	0.0008722	Pa×s	467.08	Calculated Property
η	0.0006064	Pa×s	499.51	Calculated Property
η	0.0004407	Pa×s	531.94	Calculated Property
η	0.0003322	Pa×s	564.38	Calculated Property
η	0.0002583	Pa×s	596.81	Calculated Property
η	0.0002060	Pa×s	629.24	Calculated Property
η	0.0001681	Pa×s	661.68	Calculated Property
η	0.0001397	Pa×s	694.11	Calculated Property

Similar Compounds

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

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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