Chemical Properties of P-phenoxy-beta-methoxy phenetole (CAS 57650-84-7)

InChI

InChI=1S/C15H16O3/c1-16-11-12-17-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3

InChI Key

ZUHYWLXZLTZZQF-UHFFFAOYSA-N

Formula

C15H16O3

SMILES

COCCOc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

244.29

CAS

57650-84-7

• 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_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, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.94; 608.60]	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			1.22420e+01
Coefficient B			1.02192e+00
Coefficient C			-4.54560e-04
Coefficient D			2.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.94	J/mol×K	273.00	Calculated Property
Cp,gas	318.17	J/mol×K	353.78	Calculated Property
Cp,gas	372.86	J/mol×K	434.56	Calculated Property
Cp,gas	422.12	J/mol×K	515.33	Calculated Property
Cp,gas	466.04	J/mol×K	596.11	Calculated Property
Cp,gas	504.69	J/mol×K	676.89	Calculated Property
Cp,gas	538.19	J/mol×K	757.67	Calculated Property
Cp,gas	566.61	J/mol×K	838.44	Calculated Property
Cp,gas	590.05	J/mol×K	919.22	Calculated Property
Cp,gas	608.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007648; 0.0001012]	Pa×s	[390.86; 626.03]	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			-1.25606e+01
Coefficient B			2.10469e+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.			390.86
Temperature range, max.			626.03
η	0.0007648	Pa×s	390.86	Calculated Property
η	0.0005458	Pa×s	416.99	Calculated Property
η	0.0004053	Pa×s	443.12	Calculated Property
η	0.0003111	Pa×s	469.25	Calculated Property
η	0.0002455	Pa×s	495.38	Calculated Property
η	0.0001985	Pa×s	521.51	Calculated Property
η	0.0001637	Pa×s	547.64	Calculated Property
η	0.0001374	Pa×s	573.77	Calculated Property
η	0.0001171	Pa×s	599.90	Calculated Property
η	0.0001012	Pa×s	626.03	Calculated Property

Similar Compounds

Find more compounds similar to P-phenoxy-beta-methoxy phenetole.

Sources

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

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