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

424.66

• 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	1.0911		Relay (1.0) Calculated Property
ΔfG°	-283.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1119.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.58	kJ/mol	Joback Calculated Property
ΔvapH°	127.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	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	840.16	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	872.42	K	Relay (1.0) Calculated Property
Tfus	329.88	K	Relay (1.0) Calculated Property
Vc	1.421	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1346.18; 1440.35]	J/mol×K	[961.74; 1178.14]
Cp,gas	1346.18	J/mol×K	961.74	Joback Calculated Property
Cp,gas	1366.30	J/mol×K	997.81	Joback Calculated Property
Cp,gas	1384.59	J/mol×K	1033.87	Joback Calculated Property
Cp,gas	1401.10	J/mol×K	1069.94	Joback Calculated Property
Cp,gas	1415.87	J/mol×K	1106.01	Joback Calculated Property
Cp,gas	1428.94	J/mol×K	1142.08	Joback Calculated Property
Cp,gas	1440.35	J/mol×K	1178.14	Joback Calculated Property
η	[0.0000296; 0.0005127]	Pa×s	[530.24; 961.74]
η	0.0005127	Pa×s	530.24	Joback Calculated Property
η	0.0002399	Pa×s	602.16	Joback Calculated Property
η	0.0001320	Pa×s	674.07	Joback Calculated Property
η	0.0000815	Pa×s	745.99	Joback Calculated Property
η	0.0000548	Pa×s	817.91	Joback Calculated Property
η	0.0000393	Pa×s	889.82	Joback Calculated Property
η	0.0000296	Pa×s	961.74	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

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