Chemical Properties of Benzyl salicylate

InChI

InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2

InChI Key

ZCTQGTTXIYCGGC-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

O=C(OCc1ccccc1)c1ccccc1O

Molecular Weight¹

228.25

Other Names

• Benzoic acid, 2-hydroxy-, phenylmethyl ester
• Benzyl o-hydroxybenzoate
• Salicyclic acid benzyl ester
• Salicylic acid, benzyl ester
• benzyle salicylate

• 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).
• 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.
• I_p : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-332.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.25	kJ/mol	Joback Calculated Property
ΔvapH°	88.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	2.749		Crippen Calculated Property
McVol	173.910	ml/mol	McGowan Calculated Property
Pc	3280.28	kPa	Joback Calculated Property
Inp	[1815.00; 1909.00]
Inp	1850.10		NIST
Inp	1859.00		NIST
Inp	1876.00		NIST
Inp	1869.80		NIST
Inp	1860.00		NIST
Inp	1863.00		NIST
Inp	1869.00		NIST
Inp	1860.00		NIST
Inp	1863.00		NIST
Inp	1830.00		NIST
Inp	1841.00		NIST
Inp	1828.00		NIST
Inp	1846.00		NIST
Inp	1846.00		NIST
Inp	1881.00		NIST
Inp	1857.00		NIST
Inp	1870.00		NIST
Inp	1860.00		NIST
Inp	1877.00		NIST
Inp	1876.00		NIST
Inp	1872.00		NIST
Inp	1899.00		NIST
Inp	1898.00		NIST
Inp	1898.00		NIST
Inp	1900.00		NIST
Inp	1903.00		NIST
Inp	Outlier 1909.00		NIST
Inp	1862.00		NIST
Inp	1872.00		NIST
Inp	1863.00		NIST
Inp	1857.00		NIST
Inp	1866.00		NIST
Inp	1863.00		NIST
Inp	1827.00		NIST
Inp	1857.00		NIST
Inp	1877.40		NIST
Inp	1827.00		NIST
Inp	1815.00		NIST
Inp	1836.00		NIST
Inp	1827.00		NIST
Inp	1857.00		NIST
Inp	1816.00		NIST
Inp	1826.00		NIST
Inp	1864.00		NIST
Inp	1863.00		NIST
Inp	1840.00		NIST
Inp	1828.00		NIST
Inp	1886.00		NIST
Inp	1881.00		NIST
Inp	1824.00		NIST
Inp	1861.00		NIST
Inp	1866.00		NIST
Inp	1872.00		NIST
Inp	1863.00		NIST
Inp	1866.00		NIST
Inp	1861.00		NIST
Inp	1870.00		NIST
Inp	1899.00		NIST
Inp	Outlier 1909.00		NIST
Inp	1866.00		NIST
Inp	1827.00		NIST
Inp	1816.00		NIST
Inp	1828.00		NIST
Inp	1850.10		NIST
Ip	[2737.00; 2810.00]
Ip	2771.00		NIST
Ip	2767.00		NIST
Ip	2796.00		NIST
Ip	2737.00		NIST
Ip	2810.00		NIST
Ip	2804.00		NIST
Ip	2804.00		NIST
Ip	2771.00		NIST
Ip	2737.00		NIST
Ip	2796.00		NIST
Tboil	591.44	K	Relay (1.0) Calculated Property
Tc	886.44	K	Relay (1.0) Calculated Property
Tfus	[295.15; 347.90]	K
Tfus	347.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	295.15 ± 1.50	K	NIST

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.19; 535.08]	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			-6.11590e+01
Coefficient B			1.27580e+00
Coefficient C			-9.61960e-04
Coefficient D			2.82400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.19	J/mol×K	273.00	Calculated Property
Cp,gas	282.30	J/mol×K	353.78	Calculated Property
Cp,gas	334.77	J/mol×K	434.56	Calculated Property
Cp,gas	379.49	J/mol×K	515.33	Calculated Property
Cp,gas	417.35	J/mol×K	596.11	Calculated Property
Cp,gas	449.25	J/mol×K	676.89	Calculated Property
Cp,gas	476.08	J/mol×K	757.67	Calculated Property
Cp,gas	498.73	J/mol×K	838.44	Calculated Property
Cp,gas	518.10	J/mol×K	919.22	Calculated Property
Cp,gas	535.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0292490; 0.0000168]	Pa×s	[321.52; 672.45]	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			-1.78326e+01
Coefficient B			4.59802e+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.			321.52
Temperature range, max.			672.45
η	0.0292490	Pa×s	321.52	Calculated Property
η	0.0062285	Pa×s	360.52	Calculated Property
η	0.0017938	Pa×s	399.51	Calculated Property
η	0.0006446	Pa×s	438.50	Calculated Property
η	0.0002738	Pa×s	477.49	Calculated Property
η	0.0001324	Pa×s	516.49	Calculated Property
η	0.0000708	Pa×s	555.48	Calculated Property
η	0.0000412	Pa×s	594.47	Calculated Property
η	0.0000256	Pa×s	633.46	Calculated Property
η	0.0000168	Pa×s	672.45	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl salicylate.

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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