Chemical Properties of 4-Phenoxybenzaldehyde (CAS 67-36-7)

InChI

InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H

InChI Key

QWLHJVDRPZNVBS-UHFFFAOYSA-N

Formula

C13H10O2

SMILES

O=Cc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

198.22

CAS

67-36-7

Other Names

• Benzaldehyde, 4-phenoxy-
• Benzaldehyde, p-phenoxy-
• p-Phenoxybenzaldehyde

• 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).
• I_np : Non-polar retention indices.
• 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 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.61; 459.20]	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			-2.55400e+01
Coefficient B			9.32800e-01
Coefficient C			-5.60760e-04
Coefficient D			1.12700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.61	J/mol×K	273.00	Calculated Property
Cp,gas	239.27	J/mol×K	353.78	Calculated Property
Cp,gas	283.17	J/mol×K	434.56	Calculated Property
Cp,gas	321.67	J/mol×K	515.33	Calculated Property
Cp,gas	355.12	J/mol×K	596.11	Calculated Property
Cp,gas	383.89	J/mol×K	676.89	Calculated Property
Cp,gas	408.32	J/mol×K	757.67	Calculated Property
Cp,gas	428.78	J/mol×K	838.44	Calculated Property
Cp,gas	445.62	J/mol×K	919.22	Calculated Property
Cp,gas	459.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048260; 0.0001971]	Pa×s	[297.90; 609.04]	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			-1.15936e+01
Coefficient B			1.86482e+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.			297.90
Temperature range, max.			609.04
η	0.0048260	Pa×s	297.90	Calculated Property
η	0.0025171	Pa×s	332.47	Calculated Property
η	0.0014841	Pa×s	367.04	Calculated Property
η	0.0009584	Pa×s	401.61	Calculated Property
η	0.0006633	Pa×s	436.18	Calculated Property
η	0.0004846	Pa×s	470.75	Calculated Property
η	0.0003695	Pa×s	505.33	Calculated Property
η	0.0002918	Pa×s	539.90	Calculated Property
η	0.0002370	Pa×s	574.47	Calculated Property
η	0.0001971	Pa×s	609.04	Calculated Property

Similar Compounds

Find more compounds similar to 4-Phenoxybenzaldehyde.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.