Chemical Properties of 2,4,6-TRIISOPROPYLBENZOIC ACID

InChI

InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)

InChI Key

ULVHAZFBJJXIDO-UHFFFAOYSA-N

Formula

C16H24O2

SMILES

CC(C)c1cc(C(C)C)c(C(=O)O)c(C(C)C)c1

Molecular Weight¹

248.37

Other Names

• Benzoic acid, 2,4,6-tris(1-methylethyl)-
• 2,4,6-tris(1-methylethyl)benzoic acid

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.98; 729.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.11000e+00
Coefficient B			1.33502e+00
Coefficient C			-7.58880e-04
Coefficient D			1.56500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.98	J/mol×K	273.00	Calculated Property
Cp,gas	381.14	J/mol×K	353.78	Calculated Property
Cp,gas	446.57	J/mol×K	434.56	Calculated Property
Cp,gas	504.75	J/mol×K	515.33	Calculated Property
Cp,gas	556.19	J/mol×K	596.11	Calculated Property
Cp,gas	601.38	J/mol×K	676.89	Calculated Property
Cp,gas	640.82	J/mol×K	757.67	Calculated Property
Cp,gas	674.99	J/mol×K	838.44	Calculated Property
Cp,gas	704.40	J/mol×K	919.22	Calculated Property
Cp,gas	729.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008774; 0.0001287]	Pa×s	[449.66; 675.81]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27741e+01
Coefficient B			2.57904e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			449.66
Temperature range, max.			675.81
η	0.0008774	Pa×s	449.66	Calculated Property
η	0.0006477	Pa×s	474.79	Calculated Property
η	0.0004929	Pa×s	499.92	Calculated Property
η	0.0003851	Pa×s	525.04	Calculated Property
η	0.0003077	Pa×s	550.17	Calculated Property
η	0.0002507	Pa×s	575.30	Calculated Property
η	0.0002078	Pa×s	600.43	Calculated Property
η	0.0001749	Pa×s	625.55	Calculated Property
η	0.0001492	Pa×s	650.68	Calculated Property
η	0.0001287	Pa×s	675.81	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-TRIISOPROPYLBENZOIC ACID.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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