Chemical Properties of Isophthalic acid, hexyl 4-tert-butylcyclohexyl ester

InChI

InChI=1S/C24H36O4/c1-5-6-7-8-16-27-22(25)18-10-9-11-19(17-18)23(26)28-21-14-12-20(13-15-21)24(2,3)4/h9-11,17,20-21H,5-8,12-16H2,1-4H3

InChI Key

OFGIUXAZAVUZFD-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)OC2CCC(C(C)(C)C)CC2)c1

Molecular Weight¹

388.54

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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
ω	0.9234		Relay (1.0) Calculated Property
ΔfusH°	45.80	kJ/mol	Joback Calculated Property
log10WS	-6.57		Relay (1.0) Calculated Property
logPoct/wat	6.185		Crippen Calculated Property
McVol	329.280	ml/mol	McGowan Calculated Property
Pc	1107.42	kPa	Joback Calculated Property
Inp	[2916.00; 2916.00]
Inp	2916.00		NIST
Inp	2916.00		NIST
Tboil	678.08	K	Relay (1.0) Calculated Property
Tc	904.32	K	Relay (1.0) Calculated Property
Tfus	334.74	K	Relay (1.0) Calculated Property
Vc	1.192	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1104.26; 1185.58]	J/mol×K	[908.47; 1126.83]
Cp,gas	1104.26	J/mol×K	908.47	Joback Calculated Property
Cp,gas	1121.90	J/mol×K	944.86	Joback Calculated Property
Cp,gas	1137.82	J/mol×K	981.26	Joback Calculated Property
Cp,gas	1152.08	J/mol×K	1017.65	Joback Calculated Property
Cp,gas	1164.76	J/mol×K	1054.04	Joback Calculated Property
Cp,gas	1175.90	J/mol×K	1090.44	Joback Calculated Property
Cp,gas	1185.58	J/mol×K	1126.83	Joback Calculated Property
η	[0.0000246; 0.0006348]	Pa×s	[489.40; 908.47]
η	0.0006348	Pa×s	489.40	Joback Calculated Property
η	0.0002633	Pa×s	559.25	Joback Calculated Property
η	0.0001327	Pa×s	629.09	Joback Calculated Property
η	0.0000768	Pa×s	698.93	Joback Calculated Property
η	0.0000490	Pa×s	768.78	Joback Calculated Property
η	0.0000337	Pa×s	838.62	Joback Calculated Property
η	0.0000246	Pa×s	908.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hexyl 4-tert-butylcyclohexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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