Chemical Properties of 1,4-Benzenediol, monobenzoate (CAS 2444-19-1)

InChI

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

InChI Key

JFAXJRJMFOACBO-UHFFFAOYSA-N

Formula

C13H10O3

SMILES

O=C(Oc1ccc(O)cc1)c1ccccc1

Molecular Weight¹

214.22

CAS

2444-19-1

Other Names

• 1,4-Diphenol, 1-benzoate
• p-hydroxyphenyl benzoate

• 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	[199.97; 483.49]	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			-6.02500e+01
Coefficient B			1.18080e+00
Coefficient C			-9.07560e-04
Coefficient D			2.70500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.97	J/mol×K	273.00	Calculated Property
Cp,gas	255.88	J/mol×K	353.78	Calculated Property
Cp,gas	303.69	J/mol×K	434.56	Calculated Property
Cp,gas	344.26	J/mol×K	515.33	Calculated Property
Cp,gas	378.44	J/mol×K	596.11	Calculated Property
Cp,gas	407.09	J/mol×K	676.89	Calculated Property
Cp,gas	431.06	J/mol×K	757.67	Calculated Property
Cp,gas	451.22	J/mol×K	838.44	Calculated Property
Cp,gas	468.41	J/mol×K	919.22	Calculated Property
Cp,gas	483.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005866; 0.0000189]	Pa×s	[439.15; 660.42]	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			-1.76970e+01
Coefficient B			4.50386e+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.			439.15
Temperature range, max.			660.42
η	0.0005866	Pa×s	439.15	Calculated Property
η	0.0003406	Pa×s	463.74	Calculated Property
η	0.0002089	Pa×s	488.32	Calculated Property
η	0.0001342	Pa×s	512.91	Calculated Property
η	0.0000898	Pa×s	537.49	Calculated Property
η	0.0000623	Pa×s	562.08	Calculated Property
η	0.0000445	Pa×s	586.66	Calculated Property
η	0.0000327	Pa×s	611.25	Calculated Property
η	0.0000246	Pa×s	635.83	Calculated Property
η	0.0000189	Pa×s	660.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenediol, monobenzoate.

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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