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

InChI

InChI=1S/C20H36O4/c1-3-4-5-6-7-8-9-10-13-16-24-20(22)18-15-12-11-14-17(18)19(21)23-2/h17-18H,3-16H2,1-2H3

InChI Key

HOIFJWNIHQLTEH-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

340.50

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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°	49.20	kJ/mol	Joback Calculated Property
ΔvapH°	105.42	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	5.040		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1144.44	kPa	Joback Calculated Property
Inp	[2401.00; 2401.00]
Inp	2401.00		NIST
Inp	2401.00		NIST
Tboil	614.91	K	Relay (1.0) Calculated Property
Tc	831.23	K	Relay (1.0) Calculated Property
Tfus	307.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[952.16; 1050.85]	J/mol×K	[788.52; 978.50]
Cp,gas	952.16	J/mol×K	788.52	Joback Calculated Property
Cp,gas	971.90	J/mol×K	820.18	Joback Calculated Property
Cp,gas	990.31	J/mol×K	851.85	Joback Calculated Property
Cp,gas	1007.38	J/mol×K	883.51	Joback Calculated Property
Cp,gas	1023.15	J/mol×K	915.17	Joback Calculated Property
Cp,gas	1037.63	J/mol×K	946.84	Joback Calculated Property
Cp,gas	1050.85	J/mol×K	978.50	Joback Calculated Property
η	[0.0000550; 0.0017472]	Pa×s	[402.96; 788.52]
η	0.0017472	Pa×s	402.96	Joback Calculated Property
η	0.0006606	Pa×s	467.22	Joback Calculated Property
η	0.0003160	Pa×s	531.48	Joback Calculated Property
η	0.0001772	Pa×s	595.74	Joback Calculated Property
η	0.0001112	Pa×s	660.00	Joback Calculated Property
η	0.0000758	Pa×s	724.26	Joback Calculated Property
η	0.0000550	Pa×s	788.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, methyl undecyl ester.

Sources

• Cheméo Relay (1.0)
• 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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