Chemical Properties of p-Butyryloxybenzaldehyde (CAS 50262-49-2)

InChI

InChI=1S/C11H12O3/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h4-8H,2-3H2,1H3

InChI Key

DAFTVVBQFUITOL-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

CCCC(=O)Oc1ccc(C=O)cc1

Molecular Weight¹

192.21

CAS

50262-49-2

Other Names

• Butanoic acid, 4-formylphenyl ester

• ω : Acentric Factor.
• 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).
• 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_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.38; 464.15]	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			1.00920e+01
Coefficient B			8.30120e-01
Coefficient C			-4.37160e-04
Coefficient D			6.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.38	J/mol×K	273.00	Calculated Property
Cp,gas	251.76	J/mol×K	353.78	Calculated Property
Cp,gas	293.29	J/mol×K	434.56	Calculated Property
Cp,gas	330.15	J/mol×K	515.33	Calculated Property
Cp,gas	362.53	J/mol×K	596.11	Calculated Property
Cp,gas	390.64	J/mol×K	676.89	Calculated Property
Cp,gas	414.67	J/mol×K	757.67	Calculated Property
Cp,gas	434.80	J/mol×K	838.44	Calculated Property
Cp,gas	451.23	J/mol×K	919.22	Calculated Property
Cp,gas	464.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023493; 0.0002449]	Pa×s	[337.00; 560.51]	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			-1.17234e+01
Coefficient B			1.91071e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			337.00
Temperature range, max.			560.51
η	0.0023493	Pa×s	337.00	Calculated Property
η	0.0015920	Pa×s	361.83	Calculated Property
η	0.0011341	Pa×s	386.67	Calculated Property
η	0.0008416	Pa×s	411.50	Calculated Property
η	0.0006462	Pa×s	436.34	Calculated Property
η	0.0005104	Pa×s	461.17	Calculated Property
η	0.0004130	Pa×s	486.01	Calculated Property
η	0.0003412	Pa×s	510.84	Calculated Property
η	0.0002869	Pa×s	535.68	Calculated Property
η	0.0002449	Pa×s	560.51	Calculated Property

Similar Compounds

Find more compounds similar to p-Butyryloxybenzaldehyde.

Sources

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

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