Chemical Properties of BENZOIC ALDEHYDE, 3,5-DI-t-BUTYL-4-HYDROXY-

InChI

InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3

InChI Key

DOZRDZLFLOODMB-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

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

Molecular Weight¹

234.34

Other Names

• Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
• Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-
• 4-Formyl-2,6-di-tert-butylphenol
• Benzoic aldehyde, 3,5-di-t-butyl-4-hydroxy-
• Benzaldehyde, 4-hydroxy-3,5-di-tert-butyl
• Benzaldehyde, 4-hydroxy-3,5-di-tert.-butyl
• 3,5-Di-tert-butyl-4-hydroxybenzadehyde
• Butylated hydroxytoluene aldehyde

• 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).
• 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	-398.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.11	kJ/mol	Joback Calculated Property
ΔvapH°	84.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
logPoct/wat	3.800		Crippen Calculated Property
McVol	205.890	ml/mol	McGowan Calculated Property
Inp	[1774.00; 1774.00]
Inp	1774.00		NIST
Inp	1774.00		NIST
Tboil	556.91	K	Relay (1.0) Calculated Property
Tfus	377.30	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.56; 663.43]	J/mol×K	[702.06; 930.12]
Cp,gas	581.56	J/mol×K	702.06	Joback Calculated Property
Cp,gas	597.31	J/mol×K	740.07	Joback Calculated Property
Cp,gas	612.03	J/mol×K	778.08	Joback Calculated Property
Cp,gas	625.87	J/mol×K	816.09	Joback Calculated Property
Cp,gas	638.96	J/mol×K	854.10	Joback Calculated Property
Cp,gas	651.43	J/mol×K	892.11	Joback Calculated Property
Cp,gas	663.43	J/mol×K	930.12	Joback Calculated Property
η	[0.0000120; 0.0003692]	Pa×s	[468.83; 702.06]
η	0.0003692	Pa×s	468.83	Joback Calculated Property
η	0.0001675	Pa×s	507.70	Joback Calculated Property
η	0.0000850	Pa×s	546.57	Joback Calculated Property
η	0.0000472	Pa×s	585.44	Joback Calculated Property
η	0.0000282	Pa×s	624.32	Joback Calculated Property
η	0.0000179	Pa×s	663.19	Joback Calculated Property
η	0.0000120	Pa×s	702.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to BENZOIC ALDEHYDE, 3,5-DI-t-BUTYL-4-HYDROXY-.

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

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.