Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclobutyl undecyl ester

InChI

InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-12-18-26-22(24)20-16-10-11-17-21(20)23(25)27-19-14-13-15-19/h19-21H,2-18H2,1H3

InChI Key

SNAHYTJYRQWBEV-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC1CCC1

Molecular Weight¹

380.56

• 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	-1045.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.00	kJ/mol	Joback Calculated Property
ΔvapH°	115.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.15		Relay (1.0) Calculated Property
logPoct/wat	5.963		Crippen Calculated Property
McVol	328.090	ml/mol	McGowan Calculated Property
Inp	[2678.00; 2678.00]
Inp	2678.00		NIST
Inp	2678.00		NIST
Tboil	651.64	K	Relay (1.0) Calculated Property
Tfus	302.90	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	[1126.04; 1223.20]	J/mol×K	[868.17; 1070.57]
Cp,gas	1126.04	J/mol×K	868.17	Joback Calculated Property
Cp,gas	1146.05	J/mol×K	901.90	Joback Calculated Property
Cp,gas	1164.48	J/mol×K	935.64	Joback Calculated Property
Cp,gas	1181.36	J/mol×K	969.37	Joback Calculated Property
Cp,gas	1196.74	J/mol×K	1003.11	Joback Calculated Property
Cp,gas	1210.68	J/mol×K	1036.84	Joback Calculated Property
Cp,gas	1223.20	J/mol×K	1070.57	Joback Calculated Property
η	[0.0000767; 0.0015605]	Pa×s	[451.19; 868.17]
η	0.0015605	Pa×s	451.19	Joback Calculated Property
η	0.0006756	Pa×s	520.69	Joback Calculated Property
η	0.0003563	Pa×s	590.18	Joback Calculated Property
η	0.0002150	Pa×s	659.68	Joback Calculated Property
η	0.0001429	Pa×s	729.18	Joback Calculated Property
η	0.0001019	Pa×s	798.67	Joback Calculated Property
η	0.0000767	Pa×s	868.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclobutyl undecyl 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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