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

InChI

InChI=1S/C23H39ClO4/c1-2-3-4-5-6-11-16-27-22(25)19-13-8-9-14-20(19)23(26)28-17-18-12-7-10-15-21(18)24/h18-21H,2-17H2,1H3

InChI Key

BPQIESLONFQBEA-UHFFFAOYSA-N

Formula

C23H39ClO4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

415.01

• 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°	54.07	kJ/mol	Joback Calculated Property
logPoct/wat	6.037		Crippen Calculated Property
McVol	340.330	ml/mol	McGowan Calculated Property
Inp	[2908.00; 2908.00]
Inp	2908.00		NIST
Inp	2908.00		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	[467.77; 1213.88]	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			-7.36420e+01
Coefficient B			2.27722e+00
Coefficient C			-1.10980e-03
Coefficient D			1.20100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	467.77	J/mol×K	273.00	Calculated Property
Cp,gas	598.40	J/mol×K	353.78	Calculated Property
Cp,gas	716.22	J/mol×K	434.56	Calculated Property
Cp,gas	821.59	J/mol×K	515.33	Calculated Property
Cp,gas	914.91	J/mol×K	596.11	Calculated Property
Cp,gas	996.54	J/mol×K	676.89	Calculated Property
Cp,gas	1066.88	J/mol×K	757.67	Calculated Property
Cp,gas	1126.29	J/mol×K	838.44	Calculated Property
Cp,gas	1175.17	J/mol×K	919.22	Calculated Property
Cp,gas	1213.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010678; 0.0000702]	Pa×s	[469.83; 785.83]	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			-1.36107e+01
Coefficient B			3.18004e+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.			469.83
Temperature range, max.			785.83
η	0.0010678	Pa×s	469.83	Calculated Property
η	0.0006669	Pa×s	504.94	Calculated Property
η	0.0004428	Pa×s	540.05	Calculated Property
η	0.0003091	Pa×s	575.16	Calculated Property
η	0.0002249	Pa×s	610.28	Calculated Property
η	0.0001694	Pa×s	645.39	Calculated Property
η	0.0001314	Pa×s	680.50	Calculated Property
η	0.0001044	Pa×s	715.61	Calculated Property
η	0.0000848	Pa×s	750.72	Calculated Property
η	0.0000702	Pa×s	785.83	Calculated Property

Similar Compounds

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