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

InChI

InChI=1S/C23H42O4/c1-4-7-9-10-13-18-26-22(24)20-16-11-12-17-21(20)23(25)27-19(14-6-3)15-8-5-2/h19-21H,4-18H2,1-3H3

InChI Key

SMHVLQANBQXVBQ-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

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

Molecular Weight¹

382.58

• 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°	53.45	kJ/mol	Joback Calculated Property
logPoct/wat	6.209		Crippen Calculated Property
McVol	338.950	ml/mol	McGowan Calculated Property
Inp	[2467.00; 2467.00]
Inp	2467.00		NIST
Inp	2467.00		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	[489.90; 1214.41]	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			-2.85490e+01
Coefficient B			2.18076e+00
Coefficient C			-1.06700e-03
Coefficient D			1.29200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	489.90	J/mol×K	273.00	Calculated Property
Cp,gas	615.13	J/mol×K	353.78	Calculated Property
Cp,gas	728.22	J/mol×K	434.56	Calculated Property
Cp,gas	829.59	J/mol×K	515.33	Calculated Property
Cp,gas	919.64	J/mol×K	596.11	Calculated Property
Cp,gas	998.78	J/mol×K	676.89	Calculated Property
Cp,gas	1067.41	J/mol×K	757.67	Calculated Property
Cp,gas	1125.96	J/mol×K	838.44	Calculated Property
Cp,gas	1174.82	J/mol×K	919.22	Calculated Property
Cp,gas	1214.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014734; 0.0000592]	Pa×s	[421.77; 736.97]	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			-1.40360e+01
Coefficient B			3.16996e+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.			421.77
Temperature range, max.			736.97
η	0.0014734	Pa×s	421.77	Calculated Property
η	0.0008281	Pa×s	456.79	Calculated Property
η	0.0005052	Pa×s	491.81	Calculated Property
η	0.0003291	Pa×s	526.84	Calculated Property
η	0.0002262	Pa×s	561.86	Calculated Property
η	0.0001624	Pa×s	596.88	Calculated Property
η	0.0001210	Pa×s	631.90	Calculated Property
η	0.0000930	Pa×s	666.92	Calculated Property
η	0.0000734	Pa×s	701.94	Calculated Property
η	0.0000592	Pa×s	736.97	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl 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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