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

InChI

InChI=1S/C20H28O4/c1-4-5-12-23-19(21)16-8-6-7-9-17(16)20(22)24-18-13-14(2)10-11-15(18)3/h10-11,13,16-17H,4-9,12H2,1-3H3

InChI Key

ITNWHOJPWLAFLF-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1cc(C)ccc1C

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°	-240.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-698.16	kJ/mol	Joback Calculated Property
ΔfusH°	39.30	kJ/mol	Joback Calculated Property
ΔvapH°	82.15	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.359		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Pc	1510.50	kPa	Joback Calculated Property
Inp	[2393.00; 2393.00]
Inp	2393.00		NIST
Inp	2393.00		NIST
Tboil	861.10	K	Joback Calculated Property
Tc	1080.91	K	Joback Calculated Property
Tfus	514.08	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[876.16; 956.61]	J/mol×K	[861.10; 1080.91]
Cp,gas	876.16	J/mol×K	861.10	Joback Calculated Property
Cp,gas	893.38	J/mol×K	897.74	Joback Calculated Property
Cp,gas	909.05	J/mol×K	934.37	Joback Calculated Property
Cp,gas	923.19	J/mol×K	971.01	Joback Calculated Property
Cp,gas	935.82	J/mol×K	1007.64	Joback Calculated Property
Cp,gas	946.96	J/mol×K	1044.28	Joback Calculated Property
Cp,gas	956.61	J/mol×K	1080.91	Joback Calculated Property
η	[0.0000747; 0.0006387]	Pa×s	[514.08; 861.10]
η	0.0006387	Pa×s	514.08	Joback Calculated Property
η	0.0003727	Pa×s	571.92	Joback Calculated Property
η	0.0002401	Pa×s	629.75	Joback Calculated Property
η	0.0001666	Pa×s	687.59	Joback Calculated Property
η	0.0001223	Pa×s	745.43	Joback Calculated Property
η	0.0000939	Pa×s	803.26	Joback Calculated Property
η	0.0000747	Pa×s	861.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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