Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentyl ester

InChI

InChI=1S/C20H34O4/c1-3-4-9-14-23-19(21)16-11-6-7-12-17(16)20(22)24-18-13-8-5-10-15(18)2/h15-18H,3-14H2,1-2H3

InChI Key

QGIGGZWIUSLYMU-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

338.48

• 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).
• 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
ΔfG°	-316.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-877.77	kJ/mol	Joback Calculated Property
ΔfusH°	38.94	kJ/mol	Joback Calculated Property
ΔvapH°	78.67	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	4.648		Crippen Calculated Property
McVol	285.820	ml/mol	McGowan Calculated Property
Pc	1369.71	kPa	Joback Calculated Property
Inp	[2327.00; 2327.00]
Inp	2327.00		NIST
Inp	2327.00		NIST
Tboil	839.34	K	Joback Calculated Property
Tc	1052.96	K	Joback Calculated Property
Tfus	465.76	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.02; 1068.25]	J/mol×K	[839.34; 1052.96]
Cp,gas	970.02	J/mol×K	839.34	Joback Calculated Property
Cp,gas	990.73	J/mol×K	874.94	Joback Calculated Property
Cp,gas	1009.68	J/mol×K	910.55	Joback Calculated Property
Cp,gas	1026.89	J/mol×K	946.15	Joback Calculated Property
Cp,gas	1042.38	J/mol×K	981.76	Joback Calculated Property
Cp,gas	1056.16	J/mol×K	1017.36	Joback Calculated Property
Cp,gas	1068.25	J/mol×K	1052.96	Joback Calculated Property
η	[0.0000945; 0.0012281]	Pa×s	[465.76; 839.34]
η	0.0012281	Pa×s	465.76	Joback Calculated Property
η	0.0006226	Pa×s	528.02	Joback Calculated Property
η	0.0003643	Pa×s	590.29	Joback Calculated Property
η	0.0002361	Pa×s	652.55	Joback Calculated Property
η	0.0001650	Pa×s	714.81	Joback Calculated Property
η	0.0001221	Pa×s	777.08	Joback Calculated Property
η	0.0000945	Pa×s	839.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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