Chemical Properties of Cyclohexanecarboxylic acid, 4-methoxy-, heptadecyl ester

InChI

InChI=1S/C25H48O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(26)23-18-20-24(27-2)21-19-23/h23-24H,3-22H2,1-2H3

InChI Key

MWWYWFZKLSEQQG-UHFFFAOYSA-N

Formula

C25H48O3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CCC(OC)CC1

Molecular Weight¹

396.65

• 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°	58.97	kJ/mol	Joback Calculated Property
ΔvapH°	118.90	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	7.606		Crippen Calculated Property
McVol	365.560	ml/mol	McGowan Calculated Property
Pc	836.28	kPa	Joback Calculated Property
Inp	[2876.00; 2876.00]
Inp	2876.00		NIST
Inp	2876.00		NIST
Tboil	661.83	K	Relay (1.0) Calculated Property
Tc	871.36	K	Relay (1.0) Calculated Property
Tfus	313.40	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	[1246.96; 1356.66]	J/mol×K	[867.12; 1062.26]
Cp,gas	1246.96	J/mol×K	867.12	Joback Calculated Property
Cp,gas	1269.03	J/mol×K	899.64	Joback Calculated Property
Cp,gas	1289.54	J/mol×K	932.17	Joback Calculated Property
Cp,gas	1308.52	J/mol×K	964.69	Joback Calculated Property
Cp,gas	1326.02	J/mol×K	997.21	Joback Calculated Property
Cp,gas	1342.05	J/mol×K	1029.74	Joback Calculated Property
Cp,gas	1356.66	J/mol×K	1062.26	Joback Calculated Property
η	[0.0000316; 0.0009759]	Pa×s	[439.21; 867.12]
η	0.0009759	Pa×s	439.21	Joback Calculated Property
η	0.0003696	Pa×s	510.53	Joback Calculated Property
η	0.0001776	Pa×s	581.85	Joback Calculated Property
η	0.0001001	Pa×s	653.16	Joback Calculated Property
η	0.0000632	Pa×s	724.48	Joback Calculated Property
η	0.0000433	Pa×s	795.80	Joback Calculated Property
η	0.0000316	Pa×s	867.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, heptadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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