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

410.63

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0558		Relay (1.0) Calculated Property
ΔfG°	-291.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1099.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.99	kJ/mol	Joback Calculated Property
ΔvapH°	123.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	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	888.94	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	865.70	K	Relay (1.0) Calculated Property
Tfus	327.97	K	Relay (1.0) Calculated Property
Vc	1.366	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1282.28; 1376.92]	J/mol×K	[938.86; 1149.44]
Cp,gas	1282.28	J/mol×K	938.86	Joback Calculated Property
Cp,gas	1302.20	J/mol×K	973.96	Joback Calculated Property
Cp,gas	1320.41	J/mol×K	1009.05	Joback Calculated Property
Cp,gas	1336.95	J/mol×K	1044.15	Joback Calculated Property
Cp,gas	1351.86	J/mol×K	1079.25	Joback Calculated Property
Cp,gas	1365.17	J/mol×K	1114.35	Joback Calculated Property
Cp,gas	1376.92	J/mol×K	1149.44	Joback Calculated Property
η	[0.0000344; 0.0005793]	Pa×s	[518.97; 938.86]
η	0.0005793	Pa×s	518.97	Joback Calculated Property
η	0.0002735	Pa×s	588.95	Joback Calculated Property
η	0.0001515	Pa×s	658.93	Joback Calculated Property
η	0.0000939	Pa×s	728.91	Joback Calculated Property
η	0.0000634	Pa×s	798.90	Joback Calculated Property
η	0.0000455	Pa×s	868.88	Joback Calculated Property
η	0.0000344	Pa×s	938.86	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

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