Chemical Properties of Isophthalic acid, di(4-tert-butylcyclohexyl) ester

InChI

InChI=1S/C28H42O4/c1-27(2,3)21-10-14-23(15-11-21)31-25(29)19-8-7-9-20(18-19)26(30)32-24-16-12-22(13-17-24)28(4,5)6/h7-9,18,21-24H,10-17H2,1-6H3

InChI Key

YZHAGBRAHQIVGP-UHFFFAOYSA-N

Formula

C28H42O4

SMILES

CC(C)(C)C1CCC(OC(=O)c2cccc(C(=O)OC3CCC(C(C)(C)C)CC3)c2)CC1

Molecular Weight¹

442.63

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-938.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.65	kJ/mol	Joback Calculated Property
ΔvapH°	117.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
logPoct/wat	7.210		Crippen Calculated Property
McVol	374.780	ml/mol	McGowan Calculated Property
Pc	977.78	kPa	Joback Calculated Property
Inp	[3332.00; 3332.00]
Inp	3332.00		NIST
Inp	3332.00		NIST
Tboil	713.35	K	Relay (1.0) Calculated Property
Tc	975.16	K	Relay (1.0) Calculated Property
Tfus	420.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[1350.25; 1421.47]	J/mol×K	[1011.64; 1253.30]
Cp,gas	1350.25	J/mol×K	1011.64	Joback Calculated Property
Cp,gas	1367.18	J/mol×K	1051.92	Joback Calculated Property
Cp,gas	1381.93	J/mol×K	1092.19	Joback Calculated Property
Cp,gas	1394.61	J/mol×K	1132.47	Joback Calculated Property
Cp,gas	1405.34	J/mol×K	1172.75	Joback Calculated Property
Cp,gas	1414.25	J/mol×K	1213.02	Joback Calculated Property
Cp,gas	1421.47	J/mol×K	1253.30	Joback Calculated Property
η	[0.0000136; 0.0004079]	Pa×s	[540.04; 1011.64]
η	0.0004079	Pa×s	540.04	Joback Calculated Property
η	0.0001613	Pa×s	618.64	Joback Calculated Property
η	0.0000787	Pa×s	697.24	Joback Calculated Property
η	0.0000444	Pa×s	775.84	Joback Calculated Property
η	0.0000278	Pa×s	854.44	Joback Calculated Property
η	0.0000188	Pa×s	933.04	Joback Calculated Property
η	0.0000136	Pa×s	1011.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(4-tert-butylcyclohexyl) ester.

Sources

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

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