Chemical Properties of Isophthalic acid, di(2-cyclohexylethyl) ester

InChI

InChI=1S/C24H34O4/c25-23(27-16-14-19-8-3-1-4-9-19)21-12-7-13-22(18-21)24(26)28-17-15-20-10-5-2-6-11-20/h7,12-13,18-20H,1-6,8-11,14-17H2

InChI Key

ZOLLWCITYOPDLK-UHFFFAOYSA-N

Formula

C24H34O4

SMILES

O=C(OCCC1CCCCC1)c1cccc(C(=O)OCCC2CCCCC2)c1

Molecular Weight¹

386.52

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-879.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.81	kJ/mol	Joback Calculated Property
ΔvapH°	111.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	5.941		Crippen Calculated Property
McVol	318.420	ml/mol	McGowan Calculated Property
Pc	1367.69	kPa	Joback Calculated Property
Inp	[3222.00; 3222.00]
Inp	3222.00		NIST
Inp	3222.00		NIST
Tboil	724.65	K	Relay (1.0) Calculated Property
Tc	949.49	K	Relay (1.0) Calculated Property
Tfus	338.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1109.09; 1179.79]	J/mol×K	[971.86; 1208.22]
Cp,gas	1109.09	J/mol×K	971.86	Joback Calculated Property
Cp,gas	1125.66	J/mol×K	1011.25	Joback Calculated Property
Cp,gas	1140.24	J/mol×K	1050.65	Joback Calculated Property
Cp,gas	1152.88	J/mol×K	1090.04	Joback Calculated Property
Cp,gas	1163.64	J/mol×K	1129.43	Joback Calculated Property
Cp,gas	1172.60	J/mol×K	1168.83	Joback Calculated Property
Cp,gas	1179.79	J/mol×K	1208.22	Joback Calculated Property
η	[0.0000325; 0.0004818]	Pa×s	[558.26; 971.86]
η	0.0004818	Pa×s	558.26	Joback Calculated Property
η	0.0002401	Pa×s	627.19	Joback Calculated Property
η	0.0001373	Pa×s	696.13	Joback Calculated Property
η	0.0000869	Pa×s	765.06	Joback Calculated Property
η	0.0000593	Pa×s	833.99	Joback Calculated Property
η	0.0000429	Pa×s	902.93	Joback Calculated Property
η	0.0000325	Pa×s	971.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(2-cyclohexylethyl) ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.