Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexadecyl isobutyl ester

InChI

InChI=1S/C28H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-23-24(2)3/h24-26H,4-23H2,1-3H3

InChI Key

DFQCQFIMHICGRB-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

452.72

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1188.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.40	kJ/mol	Joback Calculated Property
ΔvapH°	125.76	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.86		Relay (1.0) Calculated Property
logPoct/wat	8.017		Crippen Calculated Property
McVol	409.400	ml/mol	McGowan Calculated Property
Inp	[3130.00; 3130.00]
Inp	3130.00		NIST
Inp	3130.00		NIST
Tboil	674.83	K	Relay (1.0) Calculated Property
Tfus	312.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1456.01; 1549.41]	J/mol×K	[971.12; 1191.16]
Cp,gas	1456.01	J/mol×K	971.12	Joback Calculated Property
Cp,gas	1476.56	J/mol×K	1007.79	Joback Calculated Property
Cp,gas	1495.04	J/mol×K	1044.47	Joback Calculated Property
Cp,gas	1511.51	J/mol×K	1081.14	Joback Calculated Property
Cp,gas	1526.02	J/mol×K	1117.82	Joback Calculated Property
Cp,gas	1538.64	J/mol×K	1154.49	Joback Calculated Property
Cp,gas	1549.41	J/mol×K	1191.16	Joback Calculated Property
η	[0.0000149; 0.0007116]	Pa×s	[478.12; 971.12]
η	0.0007116	Pa×s	478.12	Joback Calculated Property
η	0.0002329	Pa×s	560.29	Joback Calculated Property
η	0.0001015	Pa×s	642.45	Joback Calculated Property
η	0.0000534	Pa×s	724.62	Joback Calculated Property
η	0.0000320	Pa×s	806.79	Joback Calculated Property
η	0.0000211	Pa×s	888.95	Joback Calculated Property
η	0.0000149	Pa×s	971.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl isobutyl 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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