Chemical Properties of Benzoic acid, 2-hydroxy-, phenyl ester

InChI

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

InChI Key

ZQBAKBUEJOMQEX-UHFFFAOYSA-N

Formula

C13H10O3

SMILES

O=C(Oc1ccccc1)c1ccccc1O

Molecular Weight¹

214.22

Other Names

• 2-Hydroxy-benzoic acid phenyl ester
• 2-hydroxybenzoic acid phenyl ester
• 2-phenoxycarbonylphenol
• Fenylester kyseliny salicylove
• NSC 33406
• musol
• phenol salicylate
• phenyl 2-hydroxybenzenecarboxylate
• phenyl 2-hydroxybenzoate
• phenyl salicylate
• salicylic acid phenyl ester
• salicylic acid, phenyl ester
• salol
• salphenyl
• seesorb 201
• seesorb K 201

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6109.10	kJ/mol	NIST
ΔfH°gas	-334.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.66	kJ/mol	Joback Calculated Property
ΔvapH°	85.99	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Aq. Solubility Prediction
logPoct/wat	2.611		Crippen Calculated Property
McVol	159.820	ml/mol	McGowan Calculated Property
Pc	3673.09	kPa	Joback Calculated Property
Inp	[1650.00; 1702.00]
Inp	1702.00		NIST
Inp	1650.00		NIST
Inp	1650.00		NIST
Inp	1650.00		NIST
Inp	1655.00		NIST
Inp	1650.00		NIST
Inp	1660.00		NIST
Inp	1655.00		NIST
Inp	1702.00		NIST
Tboil	582.78	K	Relay (1.0) Calculated Property
Tc	886.56	K	Relay (1.0) Calculated Property
Tfus	[314.49; 315.35]	K
Tfus	314.90	K	The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
Tfus	Outlier 315.35	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	314.83 ± 0.25	K	NIST
Tfus	314.84 ± 0.20	K	NIST
Tfus	314.82 ± 0.20	K	NIST
Tfus	314.49 ± 0.20	K	NIST
Tfus	314.53 ± 1.00	K	NIST
Tfus	315.00 ± 1.50	K	NIST
Ttriple	314.75	K	Investigation of the melting behavior of the reference materials biphenyl and phenyl salicylate by a new type adiabatic scanning calorimeter

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Csat	[220.50; 263.00]	J/mol×K	[263.15; 303.15]
Csat	220.50	J/mol×K	263.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	227.40	J/mol×K	268.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	233.50	J/mol×K	273.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	239.00	J/mol×K	278.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	244.00	J/mol×K	283.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	249.00	J/mol×K	288.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	253.80	J/mol×K	293.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	258.50	J/mol×K	298.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	263.00	J/mol×K	303.15	Interpretation of the global heat of melting in eutectic binary systems
ΔfusH	[18.40; 19.20]	kJ/mol	[312.70; 315.10]
ΔfusH	18.40 ± 0.50	kJ/mol	312.70	NIST
ΔfusH	18.98	kJ/mol	314.20	NIST
ΔfusH	19.16	kJ/mol	315.00	NIST
ΔfusH	19.20	kJ/mol	315.10	NIST
ΔsubH	109.10	kJ/mol	297.00	NIST
ΔvapH	69.90	kJ/mol	505.00	NIST

Pressure Dependent 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	[0.0337522; 0.0000189]	Pa×s	[314.77; 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.			314.77
Temperature range, max.			660.42
η	0.0337522	Pa×s	314.77	Calculated Property
η	0.0071216	Pa×s	353.18	Calculated Property
η	0.0020389	Pa×s	391.58	Calculated Property
η	0.0007299	Pa×s	429.99	Calculated Property
η	0.0003092	Pa×s	468.39	Calculated Property
η	0.0001492	Pa×s	506.80	Calculated Property
η	0.0000798	Pa×s	545.20	Calculated Property
η	0.0000463	Pa×s	583.61	Calculated Property
η	0.0000288	Pa×s	622.02	Calculated Property
η	0.0000189	Pa×s	660.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.03]	N/m	[317.15; 446.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			7.18594e-02
Coefficient B			-9.76000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			317.15
Temperature range, max.			446.15
γ	0.04	N/m	317.15	Calculated Property
γ	0.04	N/m	331.48	Calculated Property
γ	0.04	N/m	345.82	Calculated Property
γ	0.04	N/m	360.15	Calculated Property
γ	0.04	N/m	374.48	Calculated Property
γ	0.03	N/m	388.82	Calculated Property
γ	0.03	N/m	403.15	Calculated Property
γ	0.03	N/m	417.48	Calculated Property
γ	0.03	N/m	431.82	Calculated Property
γ	0.03	N/m	446.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-, phenyl ester.

Mixtures

• Acetonitrile + Benzoic acid, 2-hydroxy-, phenyl ester
• Benzoic acid, 2-hydroxy-, phenyl ester + Methyl Alcohol
• Ethanol + Benzoic acid, 2-hydroxy-, phenyl ester
• 1-Propanol + Benzoic acid, 2-hydroxy-, phenyl ester
• 2-Propanol + Benzoic acid, 2-hydroxy-, phenyl ester
• 1-Butanol + Benzoic acid, 2-hydroxy-, phenyl ester
• 1-Propanol, 2-methyl- + Benzoic acid, 2-hydroxy-, phenyl ester

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).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Cheméo Relay (1.0)
• Crippen Method
• The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
• Investigation of the melting behavior of the reference materials biphenyl and phenyl salicylate by a new type adiabatic scanning calorimeter
• Interpretation of the global heat of melting in eutectic binary systems
• Thermodynamic Study of Phenyl Salicylate Solutions in Aprotic Solvents at Different Temperatures
• Solubility of Salol in Pure Alcohols from (283.15 to 308.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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