Chemical Properties of 3,5-di-tert-Butyl-4-hydroxybenzaldehyde (CAS 1620-98-0)

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

234.33

CAS

1620-98-0

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_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).
• 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
ΔfG°	-79.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.73	kJ/mol	Joback Calculated Property
ΔfusH°	21.11	kJ/mol	Joback Calculated Property
ΔvapH°	69.73	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.800		Crippen Calculated Property
McVol	205.890	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[1774.00; 1774.00]
Inp	1774.00		NIST
Inp	1774.00		NIST
Tboil	702.06	K	Joback Calculated Property
Tc	930.12	K	Joback Calculated Property
Tfus	468.83	K	Joback Calculated Property
Vc	0.729	m3/kmol	Joback Calculated Property

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 3,5-di-tert-Butyl-4-hydroxybenzaldehyde.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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