Chemical Properties of Benzaldehyde, 4-butoxy-

InChI

InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3

InChI Key

XHWMNHADTZZHGI-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CCCCOc1ccc(C=O)cc1

Molecular Weight¹

178.23

Other Names

• 4-Butoxybenzaldehyde
• p-Butoxybenzaldehyde
• p-(n-Butoxy)benzaldehyde
• Benzaldehyde, p-butoxy-

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[204.44; 474.54]	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			1.01830e+01
Coefficient B			8.21720e-01
Coefficient C			-4.20760e-04
Coefficient D			6.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.44	J/mol×K	273.00	Calculated Property
Cp,gas	251.03	J/mol×K	353.78	Calculated Property
Cp,gas	293.01	J/mol×K	434.56	Calculated Property
Cp,gas	330.58	J/mol×K	515.33	Calculated Property
Cp,gas	363.93	J/mol×K	596.11	Calculated Property
Cp,gas	393.28	J/mol×K	676.89	Calculated Property
Cp,gas	418.81	J/mol×K	757.67	Calculated Property
Cp,gas	440.73	J/mol×K	838.44	Calculated Property
Cp,gas	459.24	J/mol×K	919.22	Calculated Property
Cp,gas	474.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019634; 0.0002418]	Pa×s	[316.90; 531.67]	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			-1.14179e+01
Coefficient B			1.64308e+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.			316.90
Temperature range, max.			531.67
η	0.0019634	Pa×s	316.90	Calculated Property
η	0.0013656	Pa×s	340.76	Calculated Property
η	0.0009960	Pa×s	364.63	Calculated Property
η	0.0007552	Pa×s	388.49	Calculated Property
η	0.0005912	Pa×s	412.35	Calculated Property
η	0.0004754	Pa×s	436.22	Calculated Property
η	0.0003911	Pa×s	460.08	Calculated Property
η	0.0003279	Pa×s	483.94	Calculated Property
η	0.0002796	Pa×s	507.81	Calculated Property
η	0.0002418	Pa×s	531.67	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 4-butoxy-.

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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