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

InChI

InChI=1S/C30H48O4/c1-5-6-7-8-9-10-11-12-13-14-22-33-28(31)24-16-15-17-25(23-24)29(32)34-27-20-18-26(19-21-27)30(2,3)4/h15-17,23,26-27H,5-14,18-22H2,1-4H3

InChI Key

VAIVVLATSYGNBV-UHFFFAOYSA-N

Formula

C30H48O4

SMILES

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

Molecular Weight¹

472.71

• 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	1.1579		Relay (1.0) Calculated Property
ΔfusH°	61.34	kJ/mol	Joback Calculated Property
log10WS	-8.29		Relay (1.0) Calculated Property
logPoct/wat	8.526		Crippen Calculated Property
McVol	413.820	ml/mol	McGowan Calculated Property
Pc	779.81	kPa	Joback Calculated Property
Inp	[3548.00; 3548.00]
Inp	3548.00		NIST
Inp	3548.00		NIST
Tboil	718.82	K	Relay (1.0) Calculated Property
Tc	948.20	K	Relay (1.0) Calculated Property
Tfus	335.71	K	Relay (1.0) Calculated Property
Vc	1.515	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	[1477.33; 1550.84]	J/mol×K	[1045.75; 1280.46]
Cp,gas	1477.33	J/mol×K	1045.75	Joback Calculated Property
Cp,gas	1494.23	J/mol×K	1084.87	Joback Calculated Property
Cp,gas	1509.13	J/mol×K	1123.99	Joback Calculated Property
Cp,gas	1522.14	J/mol×K	1163.11	Joback Calculated Property
Cp,gas	1533.36	J/mol×K	1202.23	Joback Calculated Property
Cp,gas	1542.89	J/mol×K	1241.35	Joback Calculated Property
Cp,gas	1550.84	J/mol×K	1280.46	Joback Calculated Property
η	[0.0000095; 0.0002743]	Pa×s	[557.02; 1045.75]
η	0.0002743	Pa×s	557.02	Joback Calculated Property
η	0.0001094	Pa×s	638.47	Joback Calculated Property
η	0.0000537	Pa×s	719.93	Joback Calculated Property
η	0.0000305	Pa×s	801.38	Joback Calculated Property
η	0.0000192	Pa×s	882.84	Joback Calculated Property
η	0.0000131	Pa×s	964.29	Joback Calculated Property
η	0.0000095	Pa×s	1045.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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