Chemical Properties of Isophthalic acid, cyclohexylmethyl undecyl ester

InChI

InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-13-19-29-25(27)23-17-14-18-24(20-23)26(28)30-21-22-15-11-10-12-16-22/h14,17-18,20,22H,2-13,15-16,19,21H2,1H3

InChI Key

WLBYQABGVLTJEW-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

CCCCCCCCCCCOC(=O)c1cccc(C(=O)OCC2CCCCC2)c1

Molecular Weight¹

416.60

• ω : Acentric Factor.
• 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).
• 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	1.1201		Relay (1.0) Calculated Property
ΔfH°gas	-933.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.32	kJ/mol	Joback Calculated Property
ΔvapH°	118.09	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	7.111		Crippen Calculated Property
McVol	357.460	ml/mol	McGowan Calculated Property
Pc	987.02	kPa	Joback Calculated Property
Inp	[3291.00; 3291.00]
Inp	3291.00		NIST
Inp	3291.00		NIST
Tboil	712.54	K	Relay (1.0) Calculated Property
Tc	921.84	K	Relay (1.0) Calculated Property
Tfus	287.41	K	Relay (1.0) Calculated Property
Vc	1.330	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[1222.89; 1298.84]	J/mol×K	[962.13; 1180.31]
Cp,gas	1222.89	J/mol×K	962.13	Joback Calculated Property
Cp,gas	1239.76	J/mol×K	998.49	Joback Calculated Property
Cp,gas	1254.87	J/mol×K	1034.86	Joback Calculated Property
Cp,gas	1268.28	J/mol×K	1071.22	Joback Calculated Property
Cp,gas	1280.04	J/mol×K	1107.58	Joback Calculated Property
Cp,gas	1290.20	J/mol×K	1143.95	Joback Calculated Property
Cp,gas	1298.84	J/mol×K	1180.31	Joback Calculated Property
η	[0.0000176; 0.0004812]	Pa×s	[513.76; 962.13]
η	0.0004812	Pa×s	513.76	Joback Calculated Property
η	0.0001955	Pa×s	588.49	Joback Calculated Property
η	0.0000973	Pa×s	663.22	Joback Calculated Property
η	0.0000558	Pa×s	737.94	Joback Calculated Property
η	0.0000354	Pa×s	812.67	Joback Calculated Property
η	0.0000243	Pa×s	887.40	Joback Calculated Property
η	0.0000176	Pa×s	962.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, cyclohexylmethyl undecyl ester.

Sources

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

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