Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl octadecyl ester

InChI

InChI=1S/C31H58O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-30(32)28-23-20-21-24-29(28)31(33)35-26-27(3)5-2/h27-29H,4-26H2,1-3H3

InChI Key

UTCXGQOZBZBADH-UHFFFAOYSA-N

Formula

C31H58O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)CC

Molecular Weight¹

494.80

• 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).
• 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
ΔfusH°	74.17	kJ/mol	Joback Calculated Property
ΔvapH°	138.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.70		Relay (1.0) Calculated Property
logPoct/wat	9.187		Crippen Calculated Property
McVol	451.670	ml/mol	McGowan Calculated Property
Inp	[3436.00; 3436.00]
Inp	3436.00		NIST
Inp	3436.00		NIST
Tboil	694.82	K	Relay (1.0) Calculated Property
Tfus	298.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[1650.08; 1739.19]	J/mol×K	[1039.76; 1287.45]
Cp,gas	1650.08	J/mol×K	1039.76	Joback Calculated Property
Cp,gas	1671.21	J/mol×K	1081.04	Joback Calculated Property
Cp,gas	1689.71	J/mol×K	1122.32	Joback Calculated Property
Cp,gas	1705.66	J/mol×K	1163.61	Joback Calculated Property
Cp,gas	1719.16	J/mol×K	1204.89	Joback Calculated Property
Cp,gas	1730.31	J/mol×K	1246.17	Joback Calculated Property
Cp,gas	1739.19	J/mol×K	1287.45	Joback Calculated Property
η	[0.0000092; 0.0004496]	Pa×s	[511.93; 1039.76]
η	0.0004496	Pa×s	511.93	Joback Calculated Property
η	0.0001461	Pa×s	599.90	Joback Calculated Property
η	0.0000633	Pa×s	687.87	Joback Calculated Property
η	0.0000332	Pa×s	775.85	Joback Calculated Property
η	0.0000198	Pa×s	863.82	Joback Calculated Property
η	0.0000130	Pa×s	951.79	Joback Calculated Property
η	0.0000092	Pa×s	1039.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl octadecyl 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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