Chemical Properties of Isophthalic acid, di(1-isopropyl-2-methylpropyl) ester

InChI

InChI=1S/C22H34O4/c1-13(2)19(14(3)4)25-21(23)17-10-9-11-18(12-17)22(24)26-20(15(5)6)16(7)8/h9-16,19-20H,1-8H3

InChI Key

OVNLBUVYWFGXSX-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CC(C)C(OC(=O)c1cccc(C(=O)OC(C(C)C)C(C)C)c1)C(C)C

Molecular Weight¹

362.51

• 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	-914.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.99	kJ/mol	Joback Calculated Property
ΔvapH°	87.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	5.361		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Pc	1144.44	kPa	Joback Calculated Property
Inp	[2248.00; 2248.00]
Inp	2248.00		NIST
Inp	2248.00		NIST
Tboil	633.88	K	Relay (1.0) Calculated Property
Tc	838.50	K	Relay (1.0) Calculated Property
Tfus	333.99	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	[985.85; 1069.84]	J/mol×K	[848.42; 1055.41]
Cp,gas	985.85	J/mol×K	848.42	Joback Calculated Property
Cp,gas	1003.38	J/mol×K	882.92	Joback Calculated Property
Cp,gas	1019.45	J/mol×K	917.42	Joback Calculated Property
Cp,gas	1034.10	J/mol×K	951.91	Joback Calculated Property
Cp,gas	1047.36	J/mol×K	986.41	Joback Calculated Property
Cp,gas	1059.26	J/mol×K	1020.91	Joback Calculated Property
Cp,gas	1069.84	J/mol×K	1055.41	Joback Calculated Property
η	[0.0000188; 0.0030966]	Pa×s	[371.30; 848.42]
η	0.0030966	Pa×s	371.30	Joback Calculated Property
η	0.0006245	Pa×s	450.82	Joback Calculated Property
η	0.0002035	Pa×s	530.34	Joback Calculated Property
η	0.0000889	Pa×s	609.86	Joback Calculated Property
η	0.0000470	Pa×s	689.38	Joback Calculated Property
η	0.0000283	Pa×s	768.90	Joback Calculated Property
η	0.0000188	Pa×s	848.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(1-isopropyl-2-methylpropyl) 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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