Chemical Properties of Isophthalic acid, 3,3-dimethylbut-2-yl isohexyl ester

InChI

InChI=1S/C20H30O4/c1-14(2)9-8-12-23-18(21)16-10-7-11-17(13-16)19(22)24-15(3)20(4,5)6/h7,10-11,13-15H,8-9,12H2,1-6H3

InChI Key

BDAFMVYHSRDAQF-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

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

Molecular Weight¹

334.45

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8570		Relay (... Calculated Property
ΔfG°	-249.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-883.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.32	kJ/mol	Joback Calculated Property
ΔvapH°	84.71	kJ/mol	Relay (... Calculated Property
IE	9.22	eV	Relay (... Calculated Property
log10WS	-5.70		Relay (... Calculated Property
logPoct/wat	4.871		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1376.84	kPa	Joback Calculated Property
Inp	[2248.00; 2248.00]
Inp	2248.00		NIST
Inp	2248.00		NIST
Tboil	622.11	K	Relay (... Calculated Property
Tc	826.74	K	Relay (... Calculated Property
Tfus	318.65	K	Relay (... Calculated Property
Vc	1.037	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[879.79; 962.05]	J/mol×K	[837.13; 1046.77]
Cp,gas	879.79	J/mol×K	837.13	Joback Calculated Property
Cp,gas	896.41	J/mol×K	872.07	Joback Calculated Property
Cp,gas	911.81	J/mol×K	907.01	Joback Calculated Property
Cp,gas	926.03	J/mol×K	941.95	Joback Calculated Property
Cp,gas	939.11	J/mol×K	976.89	Joback Calculated Property
Cp,gas	951.11	J/mol×K	1011.83	Joback Calculated Property
Cp,gas	962.05	J/mol×K	1046.77	Joback Calculated Property
η	[0.0000365; 0.0007329]	Pa×s	[470.84; 837.13]
η	0.0007329	Pa×s	470.84	Joback Calculated Property
η	0.0003336	Pa×s	531.89	Joback Calculated Property
η	0.0001786	Pa×s	592.94	Joback Calculated Property
η	0.0001074	Pa×s	653.99	Joback Calculated Property
η	0.0000705	Pa×s	715.03	Joback Calculated Property
η	0.0000494	Pa×s	776.08	Joback Calculated Property
η	0.0000365	Pa×s	837.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl isohexyl ester.

Sources

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

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