Chemical Properties of 4-(t-Butoxy)benzaldehyde (CAS 57699-45-3)

InChI

InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3

InChI Key

VWSFZYXXQDKXKQ-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC(C)(C)Oc1ccc(C=O)cc1

Molecular Weight¹

178.23

CAS

57699-45-3

Other Names

• Benzaldehyde, 4-(1,1-dimethylethoxy)-
• 4-(Tert-butoxy)benzaldehyde
• p-tert-butoxybenzaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[202.98; 476.01]	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			-1.42900e+01
Coefficient B			9.47560e-01
Coefficient C			-5.92560e-04
Coefficient D			1.35300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.98	J/mol×K	273.00	Calculated Property
Cp,gas	252.76	J/mol×K	353.78	Calculated Property
Cp,gas	296.68	J/mol×K	434.56	Calculated Property
Cp,gas	335.17	J/mol×K	515.33	Calculated Property
Cp,gas	368.66	J/mol×K	596.11	Calculated Property
Cp,gas	397.57	J/mol×K	676.89	Calculated Property
Cp,gas	422.33	J/mol×K	757.67	Calculated Property
Cp,gas	443.37	J/mol×K	838.44	Calculated Property
Cp,gas	461.12	J/mol×K	919.22	Calculated Property
Cp,gas	476.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023506; 0.0002131]	Pa×s	[319.32; 538.43]	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			-1.19519e+01
Coefficient B			1.88362e+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.			319.32
Temperature range, max.			538.43
η	0.0023506	Pa×s	319.32	Calculated Property
η	0.0015477	Pa×s	343.67	Calculated Property
η	0.0010770	Pa×s	368.01	Calculated Property
η	0.0007840	Pa×s	392.36	Calculated Property
η	0.0005922	Pa×s	416.70	Calculated Property
η	0.0004614	Pa×s	441.05	Calculated Property
η	0.0003691	Pa×s	465.40	Calculated Property
η	0.0003018	Pa×s	489.74	Calculated Property
η	0.0002515	Pa×s	514.09	Calculated Property
η	0.0002131	Pa×s	538.43	Calculated Property

Similar Compounds

Find more compounds similar to 4-(t-Butoxy)benzaldehyde.

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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