Chemical Properties of P-phenylphenetole (CAS 613-40-1)

InChI

InChI=1S/C14H14O/c1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3

InChI Key

QRYTXFUBAZNNBP-UHFFFAOYSA-N

Formula

C14H14O

SMILES

CCOc1ccc(-c2ccccc2)cc1

Molecular Weight¹

198.26

CAS

613-40-1

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.92; 520.01]	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			-3.78490e+01
Coefficient B			1.05332e+00
Coefficient C			-6.22160e-04
Coefficient D			1.26700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.92	J/mol×K	273.00	Calculated Property
Cp,gas	262.53	J/mol×K	353.78	Calculated Property
Cp,gas	312.79	J/mol×K	434.56	Calculated Property
Cp,gas	357.08	J/mol×K	515.33	Calculated Property
Cp,gas	395.80	J/mol×K	596.11	Calculated Property
Cp,gas	429.37	J/mol×K	676.89	Calculated Property
Cp,gas	458.17	J/mol×K	757.67	Calculated Property
Cp,gas	482.61	J/mol×K	838.44	Calculated Property
Cp,gas	503.09	J/mol×K	919.22	Calculated Property
Cp,gas	520.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014623; 0.0001528]	Pa×s	[335.13; 586.48]	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			-1.17984e+01
Coefficient B			1.76635e+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.			335.13
Temperature range, max.			586.48
η	0.0014623	Pa×s	335.13	Calculated Property
η	0.0009749	Pa×s	363.06	Calculated Property
η	0.0006887	Pa×s	390.99	Calculated Property
η	0.0005096	Pa×s	418.91	Calculated Property
η	0.0003915	Pa×s	446.84	Calculated Property
η	0.0003103	Pa×s	474.77	Calculated Property
η	0.0002524	Pa×s	502.70	Calculated Property
η	0.0002098	Pa×s	530.62	Calculated Property
η	0.0001776	Pa×s	558.55	Calculated Property
η	0.0001528	Pa×s	586.48	Calculated Property

Similar Compounds

Find more compounds similar to P-phenylphenetole.

Sources

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

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