Chemical Properties of methyl salicylate (CAS 119-36-8)

InChI

InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3

InChI Key

OSWPMRLSEDHDFF-UHFFFAOYSA-N

Formula

C8H8O3

SMILES

COC(=O)c1ccccc1O

Molecular Weight¹

152.15

CAS

119-36-8

Other Names

• 2-Hydroxybenzoic acid methyl ester
• 2-carbomethoxyphenol
• Benzoic acid, 2-hydroxy-, methyl ester
• methyl 2-hydroxybenzoate
• methyl o-hydroxybenzoate
• methyl ortho-hydroxybenzoate
• salicylic acid methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5994		Relay (1.0) Calculated Property
ΔfG°	-259.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-463.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.09	kJ/mol	Joback Calculated Property
ΔvapH°	64.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	NIST
log10WS	-2.34		Aq. Solubility Prediction
logPoct/wat	1.179		Crippen Calculated Property
McVol	113.130	ml/mol	McGowan Calculated Property
Pc	4691.31	kPa	Joback Calculated Property
Inp	[1152.00; 1236.00]
Inp	1169.35		NIST
Inp	1173.30		NIST
Inp	1177.24		NIST
Inp	1181.56		NIST
Inp	1185.90		NIST
Inp	1190.36		NIST
Inp	1195.52		NIST
Inp	Outlier 1154.15		NIST
Inp	1157.80		NIST
Inp	1161.55		NIST
Inp	1165.41		NIST
Inp	1176.00		NIST
Inp	1176.50		NIST
Inp	1175.00		NIST
Inp	1185.00		NIST
Inp	1173.00		NIST
Inp	1176.00		NIST
Inp	1198.80		NIST
Inp	1198.00		NIST
Inp	Outlier 1234.00		NIST
Inp	1187.00		NIST
Inp	1193.00		NIST
Inp	1169.00		NIST
Inp	1180.00		NIST
Inp	1177.00		NIST
Inp	1181.00		NIST
Inp	1180.00		NIST
Inp	1181.00		NIST
Inp	1197.00		NIST
Inp	1179.00		NIST
Inp	1180.00		NIST
Inp	1166.00		NIST
Inp	Outlier 1234.00		NIST
Inp	1191.00		NIST
Inp	1163.00		NIST
Inp	1182.00		NIST
Inp	1201.00		NIST
Inp	1190.00		NIST
Inp	1200.70		NIST
Inp	1191.00		NIST
Inp	1193.00		NIST
Inp	1194.00		NIST
Inp	1176.00		NIST
Inp	1190.00		NIST
Inp	1199.50		NIST
Inp	1193.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1196.00		NIST
Inp	1190.00		NIST
Inp	1193.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1195.00		NIST
Inp	1192.00		NIST
Inp	1192.00		NIST
Inp	1164.00		NIST
Inp	1193.00		NIST
Inp	1192.00		NIST
Inp	1191.00		NIST
Inp	1191.00		NIST
Inp	1192.00		NIST
Inp	1198.00		NIST
Inp	1166.00		NIST
Inp	1190.00		NIST
Inp	1192.00		NIST
Inp	1192.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1162.00		NIST
Inp	1190.00		NIST
Inp	1189.00		NIST
Inp	1191.00		NIST
Inp	1182.00		NIST
Inp	1177.40		NIST
Inp	1160.00		NIST
Inp	1175.00		NIST
Inp	1175.00		NIST
Inp	1183.00		NIST
Inp	1180.00		NIST
Inp	1177.00		NIST
Inp	Outlier 1217.00		NIST
Inp	Outlier 1236.00		NIST
Inp	1176.00		NIST
Inp	1188.60		NIST
Inp	1188.80		NIST
Inp	1203.20		NIST
Inp	1167.00		NIST
Inp	1162.00		NIST
Inp	1163.10		NIST
Inp	1195.50		NIST
Inp	1180.00		NIST
Inp	1181.00		NIST
Inp	1193.00		NIST
Inp	1185.00		NIST
Inp	1192.00		NIST
Inp	1192.00		NIST
Inp	1203.00		NIST
Inp	1194.00		NIST
Inp	1191.00		NIST
Inp	1193.00		NIST
Inp	1201.00		NIST
Inp	1192.00		NIST
Inp	1194.00		NIST
Inp	1195.00		NIST
Inp	1197.00		NIST
Inp	1190.00		NIST
Inp	1193.00		NIST
Inp	1200.00		NIST
Inp	1201.00		NIST
Inp	1195.00		NIST
Inp	1202.00		NIST
Inp	1189.00		NIST
Inp	1191.00		NIST
Inp	1195.00		NIST
Inp	1193.00		NIST
Inp	1189.00		NIST
Inp	1185.00		NIST
Inp	1190.00		NIST
Inp	Outlier 1222.00		NIST
Inp	1192.00		NIST
Inp	1190.00		NIST
Inp	1208.00		NIST
Inp	Outlier 1155.00		NIST
Inp	1192.00		NIST
Inp	1195.00		NIST
Inp	1168.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1192.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1190.00		NIST
Inp	1203.00		NIST
Inp	1189.00		NIST
Inp	1192.00		NIST
Inp	1163.00		NIST
Inp	1192.00		NIST
Inp	1208.00		NIST
Inp	1208.00		NIST
Inp	1208.00		NIST
Inp	1206.00		NIST
Inp	1193.00		NIST
Inp	1197.50		NIST
Inp	1192.00		NIST
Inp	1169.00		NIST
Inp	1190.00		NIST
Inp	1192.00		NIST
Inp	1168.00		NIST
Inp	1170.00		NIST
Inp	1190.00		NIST
Inp	1192.00		NIST
Inp	1211.00		NIST
Inp	1190.00		NIST
Inp	1160.00		NIST
Inp	1164.00		NIST
Inp	1201.00		NIST
Inp	1172.00		NIST
Inp	1190.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1193.00		NIST
Inp	1174.00		NIST
Inp	1171.00		NIST
Inp	1174.00		NIST
Inp	1208.00		NIST
Inp	1163.20		NIST
Inp	1172.00		NIST
Inp	1191.00		NIST
Inp	1166.00		NIST
Inp	1166.00		NIST
Inp	1167.00		NIST
Inp	1168.00		NIST
Inp	1181.00		NIST
Inp	1166.00		NIST
Inp	1161.00		NIST
Inp	1166.00		NIST
Inp	1166.00		NIST
Inp	1181.00		NIST
Inp	1204.00		NIST
Inp	1197.00		NIST
Inp	1189.00		NIST
Inp	1165.00		NIST
Inp	1166.00		NIST
Inp	1164.00		NIST
Inp	1180.00		NIST
Inp	1180.00		NIST
Inp	1201.00		NIST
Inp	1203.00		NIST
Inp	1205.00		NIST
Inp	1205.00		NIST
Inp	1190.00		NIST
Inp	1195.00		NIST
Inp	1192.00		NIST
Inp	1206.00		NIST
Inp	1177.00		NIST
Inp	1200.00		NIST
Inp	1190.00		NIST
Inp	1178.00		NIST
Inp	1171.00		NIST
Inp	1187.00		NIST
Inp	1190.00		NIST
Inp	1207.00		NIST
Inp	Outlier 1230.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1190.00		NIST
Inp	1194.00		NIST
Inp	1192.00		NIST
Inp	1194.00		NIST
Inp	1192.00		NIST
Inp	1192.00		NIST
Inp	1191.00		NIST
Inp	1181.00		NIST
Inp	1193.00		NIST
Inp	1192.00		NIST
Inp	1192.00		NIST
Inp	1181.00		NIST
Inp	Outlier 1234.00		NIST
Inp	1191.00		NIST
Inp	Outlier 1152.00		NIST
Inp	1187.00		NIST
Inp	1174.00		NIST
Inp	1181.00		NIST
Inp	1163.00		NIST
Inp	1193.00		NIST
Inp	1203.00		NIST
Inp	1192.00		NIST
Inp	1193.00		NIST
Inp	1189.00		NIST
Inp	1185.00		NIST
Inp	1208.00		NIST
Inp	1190.00		NIST
Inp	1191.00		NIST
Inp	1163.00		NIST
Inp	1206.00		NIST
Inp	1201.00		NIST
Inp	1163.20		NIST
Inp	1167.00		NIST
Inp	1166.00		NIST
Inp	1180.00		NIST
Inp	1182.00		NIST
Inp	1162.00		NIST
Inp	1177.40		NIST
Inp	1188.60		NIST
Inp	1163.10		NIST
Inp	1176.00		NIST
I	[1715.00; 1813.00]
I	1808.00		NIST
I	1781.80		NIST
I	1766.00		NIST
I	1735.00		NIST
I	1755.00		NIST
I	1804.00		NIST
I	1804.00		NIST
I	1734.00		NIST
I	1784.00		NIST
I	1730.00		NIST
I	1730.00		NIST
I	1730.00		NIST
I	1727.00		NIST
I	1730.00		NIST
I	1747.00		NIST
I	1741.00		NIST
I	1747.00		NIST
I	1803.00		NIST
I	1727.00		NIST
I	1744.00		NIST
I	1743.00		NIST
I	1762.00		NIST
I	1753.00		NIST
I	1739.00		NIST
I	1745.00		NIST
I	1745.00		NIST
I	1755.00		NIST
I	1754.00		NIST
I	1739.00		NIST
I	1744.00		NIST
I	1742.00		NIST
I	1765.00		NIST
I	1755.00		NIST
I	Outlier 1715.00		NIST
I	1747.00		NIST
I	1786.00		NIST
I	1778.00		NIST
I	1779.00		NIST
I	1730.00		NIST
I	1787.00		NIST
I	1787.00		NIST
I	1763.00		NIST
I	1759.00		NIST
I	1757.00		NIST
I	1771.00		NIST
I	1762.20		NIST
I	1791.20		NIST
I	1753.00		NIST
I	1794.00		NIST
I	1781.00		NIST
I	1780.00		NIST
I	1727.00		NIST
I	1727.00		NIST
I	1758.00		NIST
I	1756.00		NIST
I	1752.00		NIST
I	1770.00		NIST
I	Outlier 1718.00		NIST
I	1801.00		NIST
I	1770.00		NIST
I	1775.00		NIST
I	1775.00		NIST
I	1775.00		NIST
I	1789.00		NIST
I	1771.00		NIST
I	1740.00		NIST
I	1801.00		NIST
I	1787.00		NIST
I	1775.00		NIST
I	1788.00		NIST
I	1762.00		NIST
I	1809.00		NIST
I	1767.00		NIST
I	1747.00		NIST
I	1788.00		NIST
I	1760.00		NIST
I	1743.00		NIST
I	1794.00		NIST
I	1768.00		NIST
I	1805.00		NIST
I	1766.00		NIST
I	1749.00		NIST
I	1763.00		NIST
I	1765.00		NIST
I	1765.00		NIST
I	1781.00		NIST
I	1788.00		NIST
I	1800.00		NIST
I	1783.00		NIST
I	1804.00		NIST
I	1798.00		NIST
I	1745.00		NIST
I	1788.00		NIST
I	1792.00		NIST
I	1804.00		NIST
I	1727.00		NIST
I	1754.00		NIST
I	1727.00		NIST
I	1754.00		NIST
I	1739.00		NIST
I	1772.00		NIST
I	1813.00		NIST
I	1782.00		NIST
I	1730.00		NIST
I	1730.00		NIST
I	1730.00		NIST
I	1730.00		NIST
I	1756.00		NIST
I	1775.00		NIST
I	1798.00		NIST
I	1798.00		NIST
I	1798.00		NIST
I	1768.00		NIST
I	1756.00		NIST
I	1738.00		NIST
I	1798.00		NIST
I	1749.00		NIST
I	1756.00		NIST
I	1756.00		NIST
I	1756.00		NIST
I	1757.00		NIST
I	1798.00		NIST
I	1751.00		NIST
I	1798.00		NIST
I	1744.00		NIST
I	1748.00		NIST
I	1798.00		NIST
I	1800.00		NIST
I	1754.00		NIST
I	1798.00		NIST
I	1798.00		NIST
I	1798.00		NIST
I	1798.00		NIST
I	1798.00		NIST
I	1798.00		NIST
I	1754.00		NIST
I	1762.00		NIST
I	1800.00		NIST
I	1798.00		NIST
I	1773.00		NIST
I	1800.00		NIST
I	1800.00		NIST
I	1792.00		NIST
I	1791.00		NIST
I	1804.00		NIST
I	1785.00		NIST
I	1785.00		NIST
I	1801.00		NIST
I	1789.00		NIST
I	1775.00		NIST
I	1747.00		NIST
I	1768.00		NIST
I	1765.00		NIST
I	1783.00		NIST
I	1792.00		NIST
I	1754.00		NIST
I	1730.00		NIST
Tboil	[495.20; 496.50]	K
Tboil	495.20	K	NIST
Tboil	496.50	K	NIST
Tboil	496.10 ± 0.50	K	NIST
Tboil	495.50 ± 0.50	K	NIST
Tboil	495.35 ± 1.00	K	NIST
Tc	709.00 ± 5.00	K	NIST
Tfus	[264.90; 271.49]	K
Tfus	264.90	K	Aq. Solubility Prediction
Tfus	271.49	K	Experimental and theoretical study of methyl n-hydroxybenzoates
Vc	0.401	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.25; 311.19]	J/mol×K	[566.03; 798.25]
Cp,gas	259.25	J/mol×K	566.03	Joback Calculated Property
Cp,gas	269.54	J/mol×K	604.73	Joback Calculated Property
Cp,gas	279.09	J/mol×K	643.44	Joback Calculated Property
Cp,gas	287.96	J/mol×K	682.14	Joback Calculated Property
Cp,gas	296.23	J/mol×K	720.84	Joback Calculated Property
Cp,gas	303.95	J/mol×K	759.54	Joback Calculated Property
Cp,gas	311.19	J/mol×K	798.25	Joback Calculated Property
Cp,liquid	[248.90; 268.60]	J/mol×K	[295.20; 295.20]
Cp,liquid	248.90	J/mol×K	295.20	NIST
Cp,liquid	268.60	J/mol×K	295.20	NIST
η	[0.0000501; 0.0011881]	Pa×s	[390.22; 566.03]
η	0.0011881	Pa×s	390.22	Joback Calculated Property
η	0.0005829	Pa×s	419.52	Joback Calculated Property
η	0.0003139	Pa×s	448.82	Joback Calculated Property
η	0.0001823	Pa×s	478.12	Joback Calculated Property
η	0.0001128	Pa×s	507.43	Joback Calculated Property
η	0.0000735	Pa×s	536.73	Joback Calculated Property
η	0.0000501	Pa×s	566.03	Joback Calculated Property
ΔvapH	[56.90; 59.90]	kJ/mol	[310.50; 412.50]
ΔvapH	56.90	kJ/mol	310.50	NIST
ΔvapH	59.90	kJ/mol	412.00	NIST
ΔvapH	58.70	kJ/mol	412.50	NIST
ρl	[1134.49; 1189.32]	kg/m3	[288.15; 343.15]
ρl	1189.32	kg/m3	288.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1184.33	kg/m3	293.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1179.34	kg/m3	298.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1174.35	kg/m3	303.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1169.37	kg/m3	308.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1164.38	kg/m3	313.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1159.40	kg/m3	318.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1154.42	kg/m3	323.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1149.45	kg/m3	328.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1144.46	kg/m3	333.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1139.47	kg/m3	338.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
ρl	1134.49	kg/m3	343.15	Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[4.82e-05; 4237.31]	kPa	[265.15; 701.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.51315e+02
Coefficient B			-2.72868e+04
Coefficient C			-6.47318e+01
Coefficient D			4.09395e-05
Temperature range, min.			265.15
Temperature range, max.			701.00
Pvap	4.82e-05	kPa	265.15	Calculated Property
Pvap	0.02	kPa	313.58	Calculated Property
Pvap	0.93	kPa	362.01	Calculated Property
Pvap	9.24	kPa	410.43	Calculated Property
Pvap	42.26	kPa	458.86	Calculated Property
Pvap	126.66	kPa	507.29	Calculated Property
Pvap	309.32	kPa	555.72	Calculated Property
Pvap	707.17	kPa	604.14	Calculated Property
Pvap	1657.86	kPa	652.57	Calculated Property
Pvap	4237.31	kPa	701.00	Calculated Property

Similar Compounds

Find more compounds similar to methyl salicylate.

Mixtures

• Isopropyl Alcohol + methyl salicylate
• methyl salicylate + Water
• Carbon dioxide + methyl salicylate

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Experimental and theoretical study of methyl n-hydroxybenzoates
• Solute-Solvent and Solvent-Solvent Interactions of Menthol in Isopropyl Alcohol and its Binary Mixtures with Methyl Salicylate by Volumetric, Viscometric, Interferometric and Refractive Index Techniques.
• Experimental Densities and Speeds of Sound of Substituted Phenols and Their Modeling with the Prigogine Flory Patterson Model
• Green Leaf Volatiles on Atmospheric Air/Water Interfaces: A Combined Experimental and Molecular Simulation Study
• Solubility of Methyl Salicylate in Supercritical Carbon Dioxide at Several Temperatures
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.