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

InChI

InChI=1S/C22H30O4/c1-15-8-3-5-12-19(15)25-21(23)17-10-7-11-18(14-17)22(24)26-20-13-6-4-9-16(20)2/h7,10-11,14-16,19-20H,3-6,8-9,12-13H2,1-2H3

InChI Key

HCBFNDXUODMGQK-UHFFFAOYSA-N

Formula

C22H30O4

SMILES

CC1CCCCC1OC(=O)c1cccc(C(=O)OC2CCCCC2C)c1

Molecular Weight¹

358.47

• 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).
• 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	-861.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.94	kJ/mol	Joback Calculated Property
ΔvapH°	104.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
logPoct/wat	5.158		Crippen Calculated Property
McVol	290.240	ml/mol	McGowan Calculated Property
Pc	1413.31	kPa	Joback Calculated Property
Inp	[2799.00; 2799.00]
Inp	2799.00		NIST
Inp	2799.00		NIST
Tboil	683.76	K	Relay (1.0) Calculated Property
Tc	928.65	K	Relay (1.0) Calculated Property
Tfus	335.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[982.04; 1062.58]	J/mol×K	[880.82; 1116.92]
Cp,gas	982.04	J/mol×K	880.82	Joback Calculated Property
Cp,gas	1000.95	J/mol×K	920.17	Joback Calculated Property
Cp,gas	1017.61	J/mol×K	959.52	Joback Calculated Property
Cp,gas	1032.07	J/mol×K	998.87	Joback Calculated Property
Cp,gas	1044.36	J/mol×K	1038.22	Joback Calculated Property
Cp,gas	1054.51	J/mol×K	1077.57	Joback Calculated Property
Cp,gas	1062.58	J/mol×K	1116.92	Joback Calculated Property
η	[0.0000574; 0.0010500]	Pa×s	[467.58; 880.82]
η	0.0010500	Pa×s	467.58	Joback Calculated Property
η	0.0004740	Pa×s	536.45	Joback Calculated Property
η	0.0002564	Pa×s	605.33	Joback Calculated Property
η	0.0001573	Pa×s	674.20	Joback Calculated Property
η	0.0001056	Pa×s	743.07	Joback Calculated Property
η	0.0000759	Pa×s	811.95	Joback Calculated Property
η	0.0000574	Pa×s	880.82	Joback Calculated Property

Similar Compounds

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