Chemical Properties of Benzaldehyde, 4-(phenylmethoxy)- (CAS 4397-53-9)

InChI

InChI=1S/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2

InChI Key

ZVTWZSXLLMNMQC-UHFFFAOYSA-N

Formula

C14H12O2

SMILES

O=Cc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

212.24

CAS

4397-53-9

Other Names

• 4-(Benzyloxy)benzaldehyde
• 4-(Phenylmethoxy)benzaldehyde
• Benzaldehyde, p-(benzyloxy)-
• Benzyl 4-formylphenyl ether
• p-(Benzyloxy)benzaldehyde

• 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).
• T_boil : Normal Boiling Point Temperature (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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.83; 510.79]	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			-2.64490e+01
Coefficient B			1.02780e+00
Coefficient C			-6.15160e-04
Coefficient D			1.24600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.83	J/mol×K	273.00	Calculated Property
Cp,gas	265.69	J/mol×K	353.78	Calculated Property
Cp,gas	314.25	J/mol×K	434.56	Calculated Property
Cp,gas	356.90	J/mol×K	515.33	Calculated Property
Cp,gas	394.03	J/mol×K	596.11	Calculated Property
Cp,gas	426.05	J/mol×K	676.89	Calculated Property
Cp,gas	453.34	J/mol×K	757.67	Calculated Property
Cp,gas	476.29	J/mol×K	838.44	Calculated Property
Cp,gas	495.31	J/mol×K	919.22	Calculated Property
Cp,gas	510.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023614; 0.0001893]	Pa×s	[345.15; 621.44]	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			-1.17242e+01
Coefficient B			1.95898e+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.			345.15
Temperature range, max.			621.44
η	0.0023614	Pa×s	345.15	Calculated Property
η	0.0014854	Pa×s	375.85	Calculated Property
η	0.0010021	Pa×s	406.55	Calculated Property
η	0.0007145	Pa×s	437.25	Calculated Property
η	0.0005325	Pa×s	467.95	Calculated Property
η	0.0004115	Pa×s	498.65	Calculated Property
η	0.0003277	Pa×s	529.34	Calculated Property
η	0.0002675	Pa×s	560.04	Calculated Property
η	0.0002231	Pa×s	590.74	Calculated Property
η	0.0001893	Pa×s	621.44	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 4-(phenylmethoxy)-.

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.
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