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

InChI

InChI=1S/C26H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(28)24-21-18-17-20-23(24)25(27)29-2/h23-24H,3-22H2,1-2H3

InChI Key

JWGAUUILBBPDFE-UHFFFAOYSA-N

Formula

C26H48O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

424.67

• 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°	64.74	kJ/mol	Joback Calculated Property
ΔvapH°	129.39	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.38		Relay (1.0) Calculated Property
logPoct/wat	7.380		Crippen Calculated Property
McVol	381.220	ml/mol	McGowan Calculated Property
Pc	801.60	kPa	Joback Calculated Property
Inp	[3040.00; 3040.00]
Inp	3040.00		NIST
Inp	3040.00		NIST
Tboil	655.05	K	Relay (1.0) Calculated Property
Tc	875.47	K	Relay (1.0) Calculated Property
Tfus	323.24	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	[1327.30; 1423.05]	J/mol×K	[925.80; 1133.54]
Cp,gas	1327.30	J/mol×K	925.80	Joback Calculated Property
Cp,gas	1347.62	J/mol×K	960.42	Joback Calculated Property
Cp,gas	1366.14	J/mol×K	995.05	Joback Calculated Property
Cp,gas	1382.90	J/mol×K	1029.67	Joback Calculated Property
Cp,gas	1397.95	J/mol×K	1064.30	Joback Calculated Property
Cp,gas	1411.32	J/mol×K	1098.92	Joback Calculated Property
Cp,gas	1423.05	J/mol×K	1133.54	Joback Calculated Property
η	[0.0000224; 0.0007939]	Pa×s	[470.58; 925.80]
η	0.0007939	Pa×s	470.58	Joback Calculated Property
η	0.0002899	Pa×s	546.45	Joback Calculated Property
η	0.0001353	Pa×s	622.32	Joback Calculated Property
η	0.0000746	Pa×s	698.19	Joback Calculated Property
η	0.0000462	Pa×s	774.06	Joback Calculated Property
η	0.0000311	Pa×s	849.93	Joback Calculated Property
η	0.0000224	Pa×s	925.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptadecyl methyl 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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