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

InChI

InChI=1S/C25H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-25(27)23-20-17-16-19-22(23)24(26)28-2/h22-23H,3-21H2,1-2H3

InChI Key

INIZGHVNWBSUAS-UHFFFAOYSA-N

Formula

C25H46O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

410.64

• 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°	62.15	kJ/mol	Joback Calculated Property
ΔvapH°	125.45	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.07		Relay (1.0) Calculated Property
logPoct/wat	6.990		Crippen Calculated Property
McVol	367.130	ml/mol	McGowan Calculated Property
Pc	847.02	kPa	Joback Calculated Property
Inp	[2921.00; 2921.00]
Inp	2921.00		NIST
Inp	2921.00		NIST
Tboil	648.52	K	Relay (1.0) Calculated Property
Tc	868.70	K	Relay (1.0) Calculated Property
Tfus	321.13	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	[1263.59; 1359.99]	J/mol×K	[902.92; 1105.57]
Cp,gas	1263.59	J/mol×K	902.92	Joback Calculated Property
Cp,gas	1283.77	J/mol×K	936.69	Joback Calculated Property
Cp,gas	1302.25	J/mol×K	970.47	Joback Calculated Property
Cp,gas	1319.08	J/mol×K	1004.24	Joback Calculated Property
Cp,gas	1334.29	J/mol×K	1038.02	Joback Calculated Property
Cp,gas	1347.91	J/mol×K	1071.79	Joback Calculated Property
Cp,gas	1359.99	J/mol×K	1105.57	Joback Calculated Property
η	[0.0000261; 0.0009118]	Pa×s	[459.31; 902.92]
η	0.0009118	Pa×s	459.31	Joback Calculated Property
η	0.0003347	Pa×s	533.24	Joback Calculated Property
η	0.0001568	Pa×s	607.18	Joback Calculated Property
η	0.0000866	Pa×s	681.11	Joback Calculated Property
η	0.0000537	Pa×s	755.05	Joback Calculated Property
η	0.0000363	Pa×s	828.98	Joback Calculated Property
η	0.0000261	Pa×s	902.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl 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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