Chemical Properties of p-Propionoxybenzaldehyde (CAS 50262-48-1)

InChI

InChI=1S/C10H10O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3

InChI Key

NKXPJXVTMWLHBC-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

CCC(=O)Oc1ccc(C=O)cc1

Molecular Weight¹

178.18

CAS

50262-48-1

Other Names

• 4-n-Propionyloxybenzaldehyde
• Benzaldehyde, 4-(1-oxopropoxy)-

• 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	[184.16; 412.56]	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			1.10010e+01
Coefficient B			7.35120e-01
Coefficient C			-3.82760e-04
Coefficient D			4.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.16	J/mol×K	273.00	Calculated Property
Cp,gas	225.34	J/mol×K	353.78	Calculated Property
Cp,gas	262.21	J/mol×K	434.56	Calculated Property
Cp,gas	294.92	J/mol×K	515.33	Calculated Property
Cp,gas	323.62	J/mol×K	596.11	Calculated Property
Cp,gas	348.48	J/mol×K	676.89	Calculated Property
Cp,gas	369.65	J/mol×K	757.67	Calculated Property
Cp,gas	387.28	J/mol×K	838.44	Calculated Property
Cp,gas	401.53	J/mol×K	919.22	Calculated Property
Cp,gas	412.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024216; 0.0002538]	Pa×s	[325.73; 546.98]	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			-1.16002e+01
Coefficient B			1.81655e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			325.73
Temperature range, max.			546.98
η	0.0024216	Pa×s	325.73	Calculated Property
η	0.0016374	Pa×s	350.31	Calculated Property
η	0.0011654	Pa×s	374.90	Calculated Property
η	0.0008649	Pa×s	399.48	Calculated Property
η	0.0006645	Pa×s	424.06	Calculated Property
η	0.0005255	Pa×s	448.65	Calculated Property
η	0.0004258	Pa×s	473.23	Calculated Property
η	0.0003523	Pa×s	497.81	Calculated Property
η	0.0002967	Pa×s	522.40	Calculated Property
η	0.0002538	Pa×s	546.98	Calculated Property

Similar Compounds

Find more compounds similar to p-Propionoxybenzaldehyde.

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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