Chemical Properties of Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-

InChI

InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)

InChI Key

XAICWTLLSRXZPB-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CC(C)(C)c1ccc(O)c(C(=O)O)c1

Molecular Weight¹

194.23

Other Names

• 5-(1,1-dimethylethyl)salicylic 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).
• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.18; 499.93]	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			-5.55100e+01
Coefficient B			1.24166e+00
Coefficient C			-1.03952e-03
Coefficient D			3.53300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.18	J/mol×K	273.00	Calculated Property
Cp,gas	269.30	J/mol×K	353.78	Calculated Property
Cp,gas	316.75	J/mol×K	434.56	Calculated Property
Cp,gas	356.65	J/mol×K	515.33	Calculated Property
Cp,gas	390.10	J/mol×K	596.11	Calculated Property
Cp,gas	418.24	J/mol×K	676.89	Calculated Property
Cp,gas	442.17	J/mol×K	757.67	Calculated Property
Cp,gas	463.02	J/mol×K	838.44	Calculated Property
Cp,gas	481.90	J/mol×K	919.22	Calculated Property
Cp,gas	499.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001437; 0.0000224]	Pa×s	[527.41; 660.82]	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			-1.80450e+01
Coefficient B			4.85062e+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.			527.41
Temperature range, max.			660.82
η	0.0001437	Pa×s	527.41	Calculated Property
η	0.0001117	Pa×s	542.23	Calculated Property
η	0.0000881	Pa×s	557.06	Calculated Property
η	0.0000703	Pa×s	571.88	Calculated Property
η	0.0000567	Pa×s	586.70	Calculated Property
η	0.0000463	Pa×s	601.53	Calculated Property
η	0.0000381	Pa×s	616.35	Calculated Property
η	0.0000317	Pa×s	631.17	Calculated Property
η	0.0000266	Pa×s	646.00	Calculated Property
η	0.0000224	Pa×s	660.82	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-.

Sources

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

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