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

InChI

InChI=1S/C29H46O4/c1-5-6-7-8-9-10-11-12-13-21-32-27(30)23-15-14-16-24(22-23)28(31)33-26-19-17-25(18-20-26)29(2,3)4/h14-16,22,25-26H,5-13,17-21H2,1-4H3

InChI Key

HVDFKDMIZOYSRE-UHFFFAOYSA-N

Formula

C29H46O4

SMILES

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

Molecular Weight¹

458.68

• 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	1.1206		Relay (1.0) Calculated Property
ΔfusH°	58.75	kJ/mol	Joback Calculated Property
log10WS	-7.99		Relay (1.0) Calculated Property
logPoct/wat	8.136		Crippen Calculated Property
McVol	399.730	ml/mol	McGowan Calculated Property
Pc	823.37	kPa	Joback Calculated Property
Inp	[3440.00; 3440.00]
Inp	3440.00		NIST
Inp	3440.00		NIST
Tboil	712.24	K	Relay (1.0) Calculated Property
Tc	941.46	K	Relay (1.0) Calculated Property
Tfus	335.01	K	Relay (1.0) Calculated Property
Vc	1.461	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	[1414.41; 1489.17]	J/mol×K	[1022.87; 1252.39]
Cp,gas	1414.41	J/mol×K	1022.87	Joback Calculated Property
Cp,gas	1431.36	J/mol×K	1061.12	Joback Calculated Property
Cp,gas	1446.39	J/mol×K	1099.38	Joback Calculated Property
Cp,gas	1459.59	J/mol×K	1137.63	Joback Calculated Property
Cp,gas	1471.06	J/mol×K	1175.88	Joback Calculated Property
Cp,gas	1480.89	J/mol×K	1214.14	Joback Calculated Property
Cp,gas	1489.17	J/mol×K	1252.39	Joback Calculated Property
η	[0.0000111; 0.0003171]	Pa×s	[545.75; 1022.87]
η	0.0003171	Pa×s	545.75	Joback Calculated Property
η	0.0001272	Pa×s	625.27	Joback Calculated Property
η	0.0000627	Pa×s	704.79	Joback Calculated Property
η	0.0000357	Pa×s	784.31	Joback Calculated Property
η	0.0000225	Pa×s	863.83	Joback Calculated Property
η	0.0000154	Pa×s	943.35	Joback Calculated Property
η	0.0000111	Pa×s	1022.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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