Chemical Properties of 3,5-DI-t-BUTYL-4-HYDROXYBENZOIC ACID

InChI

InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

InChI Key

YEXOWHQZWLCHHD-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O

Molecular Weight¹

250.34

Other Names

• 3,5-Di-tert-butyl-4-hydroxybenzoic acid
• 3,5-bis-tert-butyl-4-hydroxybenzoic acid
• 3,5-di-t-Butyl-4-hydroxy benzoic acid
• Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-651.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.97	kJ/mol	Joback Calculated Property
ΔvapH°	113.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	3.685		Crippen Calculated Property
McVol	211.760	ml/mol	McGowan Calculated Property
Inp	[1924.70; 1924.70]
Inp	1924.70		NIST
Inp	1924.70		NIST
Tboil	563.74	K	Relay (1.0) Calculated Property
Tfus	489.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[638.49; 714.86]	J/mol×K	[799.11; 1032.94]
Cp,gas	638.49	J/mol×K	799.11	Joback Calculated Property
Cp,gas	652.48	J/mol×K	838.08	Joback Calculated Property
Cp,gas	665.75	J/mol×K	877.05	Joback Calculated Property
Cp,gas	678.47	J/mol×K	916.03	Joback Calculated Property
Cp,gas	690.78	J/mol×K	955.00	Joback Calculated Property
Cp,gas	702.86	J/mol×K	993.97	Joback Calculated Property
Cp,gas	714.86	J/mol×K	1032.94	Joback Calculated Property
η	[0.0000048; 0.0000551]	Pa×s	[587.43; 799.11]
η	0.0000551	Pa×s	587.43	Joback Calculated Property
η	0.0000327	Pa×s	622.71	Joback Calculated Property
η	0.0000205	Pa×s	657.99	Joback Calculated Property
η	0.0000135	Pa×s	693.27	Joback Calculated Property
η	0.0000092	Pa×s	728.55	Joback Calculated Property
η	0.0000066	Pa×s	763.83	Joback Calculated Property
η	0.0000048	Pa×s	799.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-DI-t-BUTYL-4-HYDROXYBENZOIC 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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