Chemical Properties of Benzoic acid, 4-phenoxy- (CAS 2215-77-2)

InChI

InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)

InChI Key

RYAQFHLUEMJOMF-UHFFFAOYSA-N

Formula

C13H10O3

SMILES

O=C(O)c1ccc(Oc2ccccc2)cc1

Molecular Weight¹

214.22

CAS

2215-77-2

Other Names

• 4-Phenoxybenzoic acid
• Benzoic acid, p-phenoxy-
• Diphenyl ether 4-carboxylic acid
• p-Phenoxybenzoic acid

• 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	[198.32; 479.20]	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			-3.23400e+01
Coefficient B			1.00910e+00
Coefficient C			-6.40360e-04
Coefficient D			1.42800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.32	J/mol×K	273.00	Calculated Property
Cp,gas	250.83	J/mol×K	353.78	Calculated Property
Cp,gas	296.96	J/mol×K	434.56	Calculated Property
Cp,gas	337.17	J/mol×K	515.33	Calculated Property
Cp,gas	371.89	J/mol×K	596.11	Calculated Property
Cp,gas	401.60	J/mol×K	676.89	Calculated Property
Cp,gas	426.73	J/mol×K	757.67	Calculated Property
Cp,gas	447.74	J/mol×K	838.44	Calculated Property
Cp,gas	465.08	J/mol×K	919.22	Calculated Property
Cp,gas	479.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011464; 0.0001516]	Pa×s	[435.15; 680.57]	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			-1.23810e+01
Coefficient B			2.44113e+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.			435.15
Temperature range, max.			680.57
η	0.0011464	Pa×s	435.15	Calculated Property
η	0.0008235	Pa×s	462.42	Calculated Property
η	0.0006138	Pa×s	489.69	Calculated Property
η	0.0004718	Pa×s	516.96	Calculated Property
η	0.0003724	Pa×s	544.23	Calculated Property
η	0.0003007	Pa×s	571.49	Calculated Property
η	0.0002475	Pa×s	598.76	Calculated Property
η	0.0002072	Pa×s	626.03	Calculated Property
η	0.0001761	Pa×s	653.30	Calculated Property
η	0.0001516	Pa×s	680.57	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-phenoxy-.

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

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