Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, octyl 4-octyl ester

InChI

InChI=1S/C24H44O4/c1-4-7-9-10-11-14-19-27-23(25)21-17-12-13-18-22(21)24(26)28-20(15-6-3)16-8-5-2/h20-22H,4-19H2,1-3H3

InChI Key

NWPKYGLYRJMOBF-UHFFFAOYSA-N

Formula

C24H44O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OC(CCC)CCCC

Molecular Weight¹

396.60

• 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°	56.04	kJ/mol	Joback Calculated Property
logPoct/wat	6.599		Crippen Calculated Property
McVol	353.040	ml/mol	McGowan Calculated Property
Inp	[2557.00; 2557.00]
Inp	2557.00		NIST
Inp	2557.00		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	[511.12; 1266.00]	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			-2.94580e+01
Coefficient B			2.27576e+00
Coefficient C			-1.12140e-03
Coefficient D			1.41100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	511.12	J/mol×K	273.00	Calculated Property
Cp,gas	641.55	J/mol×K	353.78	Calculated Property
Cp,gas	759.30	J/mol×K	434.56	Calculated Property
Cp,gas	864.82	J/mol×K	515.33	Calculated Property
Cp,gas	958.55	J/mol×K	596.11	Calculated Property
Cp,gas	1040.94	J/mol×K	676.89	Calculated Property
Cp,gas	1112.43	J/mol×K	757.67	Calculated Property
Cp,gas	1173.48	J/mol×K	838.44	Calculated Property
Cp,gas	1224.52	J/mol×K	919.22	Calculated Property
Cp,gas	1266.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012794; 0.0000514]	Pa×s	[433.04; 755.04]	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			-1.41990e+01
Coefficient B			3.26412e+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.			433.04
Temperature range, max.			755.04
η	0.0012794	Pa×s	433.04	Calculated Property
η	0.0007198	Pa×s	468.82	Calculated Property
η	0.0004393	Pa×s	504.60	Calculated Property
η	0.0002863	Pa×s	540.37	Calculated Property
η	0.0001967	Pa×s	576.15	Calculated Property
η	0.0001413	Pa×s	611.93	Calculated Property
η	0.0001052	Pa×s	647.71	Calculated Property
η	0.0000808	Pa×s	683.48	Calculated Property
η	0.0000637	Pa×s	719.26	Calculated Property
η	0.0000514	Pa×s	755.04	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, octyl 4-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

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