Chemical Properties of 4-tert-butylbenzaldehyde

InChI

InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3

InChI Key

OTXINXDGSUFPNU-UHFFFAOYSA-N

Formula

C11H14O

SMILES

CC(C)(C)c1ccc(C=O)cc1

Molecular Weight¹

162.23

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• 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 Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.58; 457.51]	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			-3.97900e+01
Coefficient B			1.01076e+00
Coefficient C			-7.03560e-04
Coefficient D			1.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.58	J/mol×K	273.00	Calculated Property
Cp,gas	238.16	J/mol×K	353.78	Calculated Property
Cp,gas	282.18	J/mol×K	434.56	Calculated Property
Cp,gas	320.26	J/mol×K	515.33	Calculated Property
Cp,gas	352.99	J/mol×K	596.11	Calculated Property
Cp,gas	380.98	J/mol×K	676.89	Calculated Property
Cp,gas	404.83	J/mol×K	757.67	Calculated Property
Cp,gas	425.13	J/mol×K	838.44	Calculated Property
Cp,gas	442.49	J/mol×K	919.22	Calculated Property
Cp,gas	457.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032448; 0.0002481]	Pa×s	[297.09; 524.54]	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			-1.16600e+01
Coefficient B			1.76153e+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.			297.09
Temperature range, max.			524.54
η	0.0032448	Pa×s	297.09	Calculated Property
η	0.0020385	Pa×s	322.36	Calculated Property
η	0.0013702	Pa×s	347.63	Calculated Property
η	0.0009720	Pa×s	372.91	Calculated Property
η	0.0007202	Pa×s	398.18	Calculated Property
η	0.0005531	Pa×s	423.45	Calculated Property
η	0.0004376	Pa×s	448.72	Calculated Property
η	0.0003549	Pa×s	473.99	Calculated Property
η	0.0002941	Pa×s	499.26	Calculated Property
η	0.0002481	Pa×s	524.54	Calculated Property

Similar Compounds

Find more compounds similar to 4-tert-butylbenzaldehyde.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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