Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl isobutyl ester

InChI

InChI=1S/C20H28O6/c1-13(2)12-25-19(21)14-8-5-6-9-15(14)20(22)26-18-16(23-3)10-7-11-17(18)24-4/h7,10-11,13-15H,5-6,8-9,12H2,1-4H3

InChI Key

PIRZCCPJHXBJOA-UHFFFAOYSA-N

Formula

C20H28O6

SMILES

COc1cccc(OC)c1OC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

364.43

• 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°	-452.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-967.88	kJ/mol	Joback Calculated Property
ΔfusH°	38.15	kJ/mol	Joback Calculated Property
ΔvapH°	86.58	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.615		Crippen Calculated Property
McVol	284.660	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[2558.00; 2558.00]
Inp	2558.00		NIST
Inp	2558.00		NIST
Tboil	905.50	K	Joback Calculated Property
Tc	1127.06	K	Joback Calculated Property
Tfus	543.54	K	Joback Calculated Property
Vc	1.058	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[934.71; 1000.53]	J/mol×K	[905.50; 1127.06]
Cp,gas	934.71	J/mol×K	905.50	Joback Calculated Property
Cp,gas	950.24	J/mol×K	942.43	Joback Calculated Property
Cp,gas	963.97	J/mol×K	979.35	Joback Calculated Property
Cp,gas	975.88	J/mol×K	1016.28	Joback Calculated Property
Cp,gas	985.95	J/mol×K	1053.20	Joback Calculated Property
Cp,gas	994.17	J/mol×K	1090.13	Joback Calculated Property
Cp,gas	1000.53	J/mol×K	1127.06	Joback Calculated Property
η	[0.0000387; 0.0003562]	Pa×s	[543.54; 905.50]
η	0.0003562	Pa×s	543.54	Joback Calculated Property
η	0.0002045	Pa×s	603.87	Joback Calculated Property
η	0.0001298	Pa×s	664.19	Joback Calculated Property
η	0.0000889	Pa×s	724.52	Joback Calculated Property
η	0.0000645	Pa×s	784.85	Joback Calculated Property
η	0.0000490	Pa×s	845.17	Joback Calculated Property
η	0.0000387	Pa×s	905.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl isobutyl ester.

Sources

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

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