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

InChI

InChI=1S/C20H38O3/c1-3-4-5-6-7-8-9-10-11-12-17-23-20(21)18-13-15-19(22-2)16-14-18/h18-19H,3-17H2,1-2H3

InChI Key

JNAHGXAZZOAPEA-UHFFFAOYSA-N

Formula

C20H38O3

SMILES

CCCCCCCCCCCCOC(=O)C1CCC(OC)CC1

Molecular Weight¹

326.52

• 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°	46.02	kJ/mol	Joback Calculated Property
ΔvapH°	97.97	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.17		Relay (1.0) Calculated Property
logPoct/wat	5.656		Crippen Calculated Property
McVol	295.110	ml/mol	McGowan Calculated Property
Pc	1127.59	kPa	Joback Calculated Property
Inp	[2359.00; 2359.00]
Inp	2359.00		NIST
Inp	2359.00		NIST
Tboil	628.97	K	Relay (1.0) Calculated Property
Tc	833.17	K	Relay (1.0) Calculated Property
Tfus	296.12	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	[932.24; 1041.91]	J/mol×K	[752.72; 937.28]
Cp,gas	932.24	J/mol×K	752.72	Joback Calculated Property
Cp,gas	953.58	J/mol×K	783.48	Joback Calculated Property
Cp,gas	973.67	J/mol×K	814.24	Joback Calculated Property
Cp,gas	992.53	J/mol×K	845.00	Joback Calculated Property
Cp,gas	1010.18	J/mol×K	875.76	Joback Calculated Property
Cp,gas	1026.63	J/mol×K	906.52	Joback Calculated Property
Cp,gas	1041.91	J/mol×K	937.28	Joback Calculated Property
η	[0.0000643; 0.0017670]	Pa×s	[382.86; 752.72]
η	0.0017670	Pa×s	382.86	Joback Calculated Property
η	0.0006935	Pa×s	444.50	Joback Calculated Property
η	0.0003418	Pa×s	506.15	Joback Calculated Property
η	0.0001965	Pa×s	567.79	Joback Calculated Property
η	0.0001259	Pa×s	629.43	Joback Calculated Property
η	0.0000873	Pa×s	691.08	Joback Calculated Property
η	0.0000643	Pa×s	752.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, dodecyl 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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