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

InChI

InChI=1S/C22H32O4/c1-15(2)14-25-20(23)16-7-6-8-17(13-16)21(24)26-19-11-9-18(10-12-19)22(3,4)5/h6-8,13,15,18-19H,9-12,14H2,1-5H3

InChI Key

MWRZDQZBCICQPL-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

CC(C)COC(=O)c1cccc(C(=O)OC2CCC(C(C)(C)C)CC2)c1

Molecular Weight¹

360.49

• 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°	-213.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.00	kJ/mol	Joback Calculated Property
ΔfusH°	33.93	kJ/mol	Joback Calculated Property
ΔvapH°	84.25	kJ/mol	Joback Calculated Property
log10WS	-6.26		Crippen Calculated Property
logPoct/wat	5.261		Crippen Calculated Property
McVol	301.100	ml/mol	McGowan Calculated Property
Pc	1348.67	kPa	Joback Calculated Property
Inp	[2665.00; 2665.00]
Inp	2665.00		NIST
Inp	2665.00		NIST
Tboil	898.21	K	Joback Calculated Property
Tc	1124.61	K	Joback Calculated Property
Tfus	511.52	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[997.73; 1079.78]	J/mol×K	[898.21; 1124.61]
Cp,gas	997.73	J/mol×K	898.21	Joback Calculated Property
Cp,gas	1015.37	J/mol×K	935.94	Joback Calculated Property
Cp,gas	1031.35	J/mol×K	973.68	Joback Calculated Property
Cp,gas	1045.72	J/mol×K	1011.41	Joback Calculated Property
Cp,gas	1058.55	J/mol×K	1049.14	Joback Calculated Property
Cp,gas	1069.88	J/mol×K	1086.87	Joback Calculated Property
Cp,gas	1079.78	J/mol×K	1124.61	Joback Calculated Property
η	[0.0000396; 0.0006137]	Pa×s	[511.52; 898.21]
η	0.0006137	Pa×s	511.52	Joback Calculated Property
η	0.0003011	Pa×s	575.97	Joback Calculated Property
η	0.0001705	Pa×s	640.42	Joback Calculated Property
η	0.0001071	Pa×s	704.87	Joback Calculated Property
η	0.0000727	Pa×s	769.31	Joback Calculated Property
η	0.0000524	Pa×s	833.76	Joback Calculated Property
η	0.0000396	Pa×s	898.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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