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

InChI

InChI=1S/C23H34O4/c1-5-6-7-15-26-21(24)17-9-8-10-18(16-17)22(25)27-20-13-11-19(12-14-20)23(2,3)4/h8-10,16,19-20H,5-7,11-15H2,1-4H3

InChI Key

WGLQALFWNHMGMD-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

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

Molecular Weight¹

374.52

• 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	0.8839		Relay (1.0) Calculated Property
ΔfusH°	43.21	kJ/mol	Joback Calculated Property
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	5.795		Crippen Calculated Property
McVol	315.190	ml/mol	McGowan Calculated Property
Pc	1181.71	kPa	Joback Calculated Property
Inp	[2808.00; 2808.00]
Inp	2808.00		NIST
Inp	2808.00		NIST
Tboil	670.37	K	Relay (1.0) Calculated Property
Tc	896.27	K	Relay (1.0) Calculated Property
Tfus	336.62	K	Relay (1.0) Calculated Property
Vc	1.137	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	[1043.45; 1126.07]	J/mol×K	[885.59; 1104.27]
Cp,gas	1043.45	J/mol×K	885.59	Joback Calculated Property
Cp,gas	1061.28	J/mol×K	922.04	Joback Calculated Property
Cp,gas	1077.40	J/mol×K	958.48	Joback Calculated Property
Cp,gas	1091.89	J/mol×K	994.93	Joback Calculated Property
Cp,gas	1104.78	J/mol×K	1031.37	Joback Calculated Property
Cp,gas	1116.16	J/mol×K	1067.82	Joback Calculated Property
Cp,gas	1126.07	J/mol×K	1104.27	Joback Calculated Property
η	[0.0000287; 0.0007240]	Pa×s	[478.13; 885.59]
η	0.0007240	Pa×s	478.13	Joback Calculated Property
η	0.0003025	Pa×s	546.04	Joback Calculated Property
η	0.0001533	Pa×s	613.95	Joback Calculated Property
η	0.0000890	Pa×s	681.86	Joback Calculated Property
η	0.0000570	Pa×s	749.77	Joback Calculated Property
η	0.0000393	Pa×s	817.68	Joback Calculated Property
η	0.0000287	Pa×s	885.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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