Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl isobutyl ester

InChI

InChI=1S/C20H28O4/c1-13(2)12-23-19(21)16-7-5-6-8-17(16)20(22)24-18-11-14(3)9-10-15(18)4/h9-11,13,16-17H,5-8,12H2,1-4H3

InChI Key

UPXGABJZXBUCMD-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

Cc1ccc(C)c(OC(=O)C2CCCCC2C(=O)OCC(C)C)c1

Molecular Weight¹

332.43

• 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°	-242.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-703.44	kJ/mol	Joback Calculated Property
ΔfusH°	35.78	kJ/mol	Joback Calculated Property
ΔvapH°	81.76	kJ/mol	Joback Calculated Property
log10WS	-4.95		Crippen Calculated Property
logPoct/wat	4.214		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Pc	1519.94	kPa	Joback Calculated Property
Inp	[2348.00; 2348.00]
Inp	2348.00		NIST
Inp	2348.00		NIST
Tboil	860.66	K	Joback Calculated Property
Tc	1083.25	K	Joback Calculated Property
Tfus	499.08	K	Joback Calculated Property
Vc	1.022	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[876.66; 957.52]	J/mol×K	[860.66; 1083.25]
Cp,gas	876.66	J/mol×K	860.66	Joback Calculated Property
Cp,gas	894.08	J/mol×K	897.76	Joback Calculated Property
Cp,gas	909.89	J/mol×K	934.86	Joback Calculated Property
Cp,gas	924.13	J/mol×K	971.96	Joback Calculated Property
Cp,gas	936.80	J/mol×K	1009.05	Joback Calculated Property
Cp,gas	947.92	J/mol×K	1046.15	Joback Calculated Property
Cp,gas	957.52	J/mol×K	1083.25	Joback Calculated Property
η	[0.0000684; 0.0007071]	Pa×s	[499.08; 860.66]
η	0.0007071	Pa×s	499.08	Joback Calculated Property
η	0.0003884	Pa×s	559.34	Joback Calculated Property
η	0.0002397	Pa×s	619.61	Joback Calculated Property
η	0.0001612	Pa×s	679.87	Joback Calculated Property
η	0.0001156	Pa×s	740.13	Joback Calculated Property
η	0.0000871	Pa×s	800.40	Joback Calculated Property
η	0.0000684	Pa×s	860.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl isobutyl ester.

Sources

• 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.