Chemical Properties of 4-Propoxybenzaldehyde (CAS 5736-85-6)

InChI

InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3

InChI Key

FGXZWMCBNMMYPL-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CCCOc1ccc(C=O)cc1

Molecular Weight¹

164.20

CAS

5736-85-6

Other Names

• p-Propoxybenzaldehyde
• 4-n-Propoxybenzaldehyde
• p-n-Propoxybenzaldehyde
• Benzaldehyde, p-propoxy-
• Benzaldehyde, 4-propoxy-
• Propoxybenzaldehyde

• 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	[183.23; 422.95]	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			1.10920e+01
Coefficient B			7.26720e-01
Coefficient C			-3.66360e-04
Coefficient D			5.15000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.23	J/mol×K	273.00	Calculated Property
Cp,gas	224.62	J/mol×K	353.78	Calculated Property
Cp,gas	261.94	J/mol×K	434.56	Calculated Property
Cp,gas	295.35	J/mol×K	515.33	Calculated Property
Cp,gas	325.02	J/mol×K	596.11	Calculated Property
Cp,gas	351.11	J/mol×K	676.89	Calculated Property
Cp,gas	373.79	J/mol×K	757.67	Calculated Property
Cp,gas	393.21	J/mol×K	838.44	Calculated Property
Cp,gas	409.55	J/mol×K	919.22	Calculated Property
Cp,gas	422.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019637; 0.0002460]	Pa×s	[305.63; 517.90]	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			-1.13009e+01
Coefficient B			1.54892e+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.			305.63
Temperature range, max.			517.90
η	0.0019637	Pa×s	305.63	Calculated Property
η	0.0013658	Pa×s	329.22	Calculated Property
η	0.0009972	Pa×s	352.80	Calculated Property
η	0.0007574	Pa×s	376.39	Calculated Property
η	0.0005942	Pa×s	399.97	Calculated Property
η	0.0004789	Pa×s	423.56	Calculated Property
η	0.0003949	Pa×s	447.14	Calculated Property
η	0.0003320	Pa×s	470.73	Calculated Property
η	0.0002838	Pa×s	494.31	Calculated Property
η	0.0002460	Pa×s	517.90	Calculated Property

Similar Compounds

Find more compounds similar to 4-Propoxybenzaldehyde.

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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