Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl)

InChI

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

InChI Key

RRIQVLZDOZPJTH-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

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

Molecular Weight¹

234.34

Other Names

3,5-di-tert-butyl-2-hydroxybenzaldehyde

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).
P_sub : Sublimation pressure (kPa).
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.

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	-428.17	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	21.11	kJ/mol	Joback Calculated Property
Δ_vapH°	85.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
logP_oct/wat	3.800		Crippen Calculated Property
McVol	205.890	ml/mol	McGowan Calculated Property
I_np	1800.00		NIST
T_boil	553.08	K	Relay (1.0) Calculated Property
T_fus	353.85	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
P_sub	[1.40e-04; 1.10e-03]	kPa	[296.28; 312.20]

P_sub	1.51e-04	kPa	296.28	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.43e-04	kPa	296.28	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.40e-04	kPa	296.28	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.93e-04	kPa	298.16	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.80e-04	kPa	298.16	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.76e-04	kPa	298.16	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.48e-04	kPa	300.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.37e-04	kPa	300.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	2.34e-04	kPa	300.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.22e-04	kPa	302.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.04e-04	kPa	302.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.00e-04	kPa	302.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	4.08e-04	kPa	304.15	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.82e-04	kPa	304.15	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	3.78e-04	kPa	304.15	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	5.42e-04	kPa	306.37	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	5.14e-04	kPa	306.37	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	5.05e-04	kPa	306.37	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	6.73e-04	kPa	308.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	6.31e-04	kPa	308.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	6.20e-04	kPa	308.18	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	8.61e-04	kPa	310.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	8.12e-04	kPa	310.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	8.01e-04	kPa	310.17	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.10e-03	kPa	312.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.03e-03	kPa	312.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
P_sub	1.01e-03	kPa	312.20	Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[290.41; 684.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			-6.25200e+01
Coefficient B			1.61172e+00
Coefficient C			-1.28228e-03
Coefficient D			4.17800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	290.41	J/mol×K	273.00	Calculated Property
C_p,gas	365.68	J/mol×K	353.78	Calculated Property
C_p,gas	430.00	J/mol×K	434.56	Calculated Property
C_p,gas	484.70	J/mol×K	515.33	Calculated Property
C_p,gas	531.09	J/mol×K	596.11	Calculated Property
C_p,gas	570.50	J/mol×K	676.89	Calculated Property
C_p,gas	604.24	J/mol×K	757.67	Calculated Property
C_p,gas	633.65	J/mol×K	838.44	Calculated Property
C_p,gas	660.03	J/mol×K	919.22	Calculated Property
C_p,gas	684.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003692; 0.0000205]	Pa×s	[468.83; 651.27]	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			-1.82282e+01
Coefficient B			4.84023e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			468.83
Temperature range, max.			651.27

η	0.0003692	Pa×s	468.83	Calculated Property
η	0.0002407	Pa×s	489.10	Calculated Property
η	0.0001623	Pa×s	509.37	Calculated Property
η	0.0001128	Pa×s	529.64	Calculated Property
η	0.0000806	Pa×s	549.91	Calculated Property
η	0.0000589	Pa×s	570.19	Calculated Property
η	0.0000440	Pa×s	590.46	Calculated Property
η	0.0000335	Pa×s	610.73	Calculated Property
η	0.0000260	Pa×s	631.00	Calculated Property
η	0.0000205	Pa×s	651.27	Calculated Property

Similar Compounds

BENZOIC ALDEHYDE, 3,5-DI-t-BUTYL-4-HYDROXY-.

Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-.

Benzaldehyde, 2-hydroxy, 3-chloro, 5-(t-butyl).

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester.

benzaldehyde oxime, 2-hydroxy, 3,5-di(t-butyl).

2,6-Bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol.

2,4-tert-butyl-6-hydroperoxymethyl-phenol.

Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-.

Find more compounds similar to Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl).

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
Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
Joback Method
McGowan Method
NIST Webbook

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Chemical Properties of Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources