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

InChI

InChI=1S/C24H36O4/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)28-20-15-13-19(14-16-20)18(2)3/h13-16,18,21-22H,4-12,17H2,1-3H3

InChI Key

RQIWLLWENZLDQT-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

388.54

• 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°	49.69	kJ/mol	Joback Calculated Property
logPoct/wat	6.035		Crippen Calculated Property
McVol	329.280	ml/mol	McGowan Calculated Property
Inp	[2755.00; 2788.00]
Inp	2755.00		NIST
Inp	2788.00		NIST
Inp	2755.00		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	[456.41; 1144.44]	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			-4.90640e+01
Coefficient B			2.13736e+00
Coefficient C			-1.08556e-03
Coefficient D			1.41700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	456.41	J/mol×K	273.00	Calculated Property
Cp,gas	577.49	J/mol×K	353.78	Calculated Property
Cp,gas	686.37	J/mol×K	434.56	Calculated Property
Cp,gas	783.49	J/mol×K	515.33	Calculated Property
Cp,gas	869.30	J/mol×K	596.11	Calculated Property
Cp,gas	944.26	J/mol×K	676.89	Calculated Property
Cp,gas	1008.80	J/mol×K	757.67	Calculated Property
Cp,gas	1063.38	J/mol×K	838.44	Calculated Property
Cp,gas	1108.44	J/mol×K	919.22	Calculated Property
Cp,gas	1144.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007995; 0.0000506]	Pa×s	[471.98; 788.49]	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			-1.40096e+01
Coefficient B			3.24628e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			471.98
Temperature range, max.			788.49
η	0.0007995	Pa×s	471.98	Calculated Property
η	0.0004962	Pa×s	507.15	Calculated Property
η	0.0003276	Pa×s	542.32	Calculated Property
η	0.0002275	Pa×s	577.48	Calculated Property
η	0.0001648	Pa×s	612.65	Calculated Property
η	0.0001236	Pa×s	647.82	Calculated Property
η	0.0000955	Pa×s	682.99	Calculated Property
η	0.0000757	Pa×s	718.15	Calculated Property
η	0.0000613	Pa×s	753.32	Calculated Property
η	0.0000506	Pa×s	788.49	Calculated Property

Similar Compounds

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