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-carbomethoxyphenol
• 2-hydroxybenzoic acid methyl ester
• 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).
• μ : Dipole Moment (debye).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.5789; 0.5813]
ω	0.5789		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.5813		ChemSep v8.3 pure component data Compiled value
μ	2.47	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-339.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-467.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	20.67	kJ/mol	Joback Calculated Property
ΔvapH°	65.04	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	[4090.00; 4090.00]	kPa
Pc	4090.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4090.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	5.49e-05	kPa	ChemSep v8.3 pure component data Compiled value
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	1182.00		NIST
Inp	1193.00		NIST
Inp	1192.00		NIST
Inp	1191.00		NIST
Inp	1162.00		NIST
Inp	1177.40		NIST
Inp	1180.00		NIST
Inp	1188.60		NIST
Inp	1163.10		NIST
Inp	1169.35		NIST
Inp	1190.36		NIST
Inp	1165.41		NIST
Inp	1173.00		NIST
Inp	1203.00		NIST
Inp	1189.00		NIST
Inp	1185.00		NIST
Inp	1208.00		NIST
Inp	1190.00		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	1176.00		NIST
Ip	[1715.00; 1813.00]
Ip	1808.00		NIST
Ip	1781.80		NIST
Ip	1766.00		NIST
Ip	1735.00		NIST
Ip	1755.00		NIST
Ip	1804.00		NIST
Ip	1804.00		NIST
Ip	1734.00		NIST
Ip	1784.00		NIST
Ip	1730.00		NIST
Ip	1730.00		NIST
Ip	1730.00		NIST
Ip	1727.00		NIST
Ip	1730.00		NIST
Ip	1747.00		NIST
Ip	1741.00		NIST
Ip	1747.00		NIST
Ip	1803.00		NIST
Ip	1727.00		NIST
Ip	1744.00		NIST
Ip	1743.00		NIST
Ip	1762.00		NIST
Ip	1753.00		NIST
Ip	1739.00		NIST
Ip	1745.00		NIST
Ip	1745.00		NIST
Ip	1755.00		NIST
Ip	1754.00		NIST
Ip	1739.00		NIST
Ip	1744.00		NIST
Ip	1742.00		NIST
Ip	1765.00		NIST
Ip	1755.00		NIST
Ip	Outlier 1715.00		NIST
Ip	1747.00		NIST
Ip	1786.00		NIST
Ip	1778.00		NIST
Ip	1779.00		NIST
Ip	1730.00		NIST
Ip	1787.00		NIST
Ip	1787.00		NIST
Ip	1763.00		NIST
Ip	1759.00		NIST
Ip	1757.00		NIST
Ip	1771.00		NIST
Ip	1762.20		NIST
Ip	1791.20		NIST
Ip	1753.00		NIST
Ip	1794.00		NIST
Ip	1781.00		NIST
Ip	1780.00		NIST
Ip	1727.00		NIST
Ip	1727.00		NIST
Ip	1758.00		NIST
Ip	1756.00		NIST
Ip	1752.00		NIST
Ip	1770.00		NIST
Ip	Outlier 1718.00		NIST
Ip	1801.00		NIST
Ip	1770.00		NIST
Ip	1775.00		NIST
Ip	1775.00		NIST
Ip	1775.00		NIST
Ip	1789.00		NIST
Ip	1771.00		NIST
Ip	1740.00		NIST
Ip	1801.00		NIST
Ip	1787.00		NIST
Ip	1775.00		NIST
Ip	1788.00		NIST
Ip	1762.00		NIST
Ip	1809.00		NIST
Ip	1767.00		NIST
Ip	1747.00		NIST
Ip	1788.00		NIST
Ip	1760.00		NIST
Ip	1743.00		NIST
Ip	1794.00		NIST
Ip	1768.00		NIST
Ip	1805.00		NIST
Ip	1766.00		NIST
Ip	1749.00		NIST
Ip	1763.00		NIST
Ip	1765.00		NIST
Ip	1765.00		NIST
Ip	1781.00		NIST
Ip	1788.00		NIST
Ip	1800.00		NIST
Ip	1783.00		NIST
Ip	1804.00		NIST
Ip	1798.00		NIST
Ip	1745.00		NIST
Ip	1788.00		NIST
Ip	1792.00		NIST
Ip	1804.00		NIST
Ip	1727.00		NIST
Ip	1754.00		NIST
Ip	1727.00		NIST
Ip	1754.00		NIST
Ip	1739.00		NIST
Ip	1772.00		NIST
Ip	1813.00		NIST
Ip	1782.00		NIST
Ip	1730.00		NIST
Ip	1730.00		NIST
Ip	1730.00		NIST
Ip	1730.00		NIST
Ip	1756.00		NIST
Ip	1775.00		NIST
Ip	1798.00		NIST
Ip	1798.00		NIST
Ip	1798.00		NIST
Ip	1768.00		NIST
Ip	1756.00		NIST
Ip	1738.00		NIST
Ip	1798.00		NIST
Ip	1749.00		NIST
Ip	1756.00		NIST
Ip	1756.00		NIST
Ip	1756.00		NIST
Ip	1757.00		NIST
Ip	1798.00		NIST
Ip	1751.00		NIST
Ip	1798.00		NIST
Ip	1744.00		NIST
Ip	1748.00		NIST
Ip	1798.00		NIST
Ip	1800.00		NIST
Ip	1754.00		NIST
Ip	1798.00		NIST
Ip	1798.00		NIST
Ip	1798.00		NIST
Ip	1798.00		NIST
Ip	1798.00		NIST
Ip	1798.00		NIST
Ip	1754.00		NIST
Ip	1762.00		NIST
Ip	1800.00		NIST
Ip	1798.00		NIST
Ip	1773.00		NIST
Ip	1800.00		NIST
Ip	1800.00		NIST
Ip	1792.00		NIST
Ip	1791.00		NIST
Ip	1804.00		NIST
Ip	1785.00		NIST
Ip	1785.00		NIST
Ip	1801.00		NIST
Ip	1789.00		NIST
Ip	1775.00		NIST
Ip	1747.00		NIST
Ip	1768.00		NIST
Ip	1765.00		NIST
Ip	1783.00		NIST
Ip	1792.00		NIST
Ip	1754.00		NIST
Ip	1730.00		NIST
Tboil	[495.20; 496.50]	K
Tboil	496.35	K	ChemSep v8.3 pure component data Compiled value
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	[701.00; 709.00]	K
Tc	709.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	709.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	701.00	K	ChemSep v8.3 pure component data Compiled value
Tc	709.00 ± 5.00	K	NIST
Tfus	[264.65; 271.49]	K
Tfus	271.49	K	Experimental and theoretical study of methyl n-hydroxybenzoates
Tfus	264.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	264.85	K	ChemSep v8.3 pure component data Compiled value
Tfus	264.90	K	Aq. Solubility Prediction
Ttriple	265.15	K	ChemSep v8.3 pure component data Compiled value
UQi	4.45		ChemSep v8.3 pure component data Compiled value
URi	5.67		ChemSep v8.3 pure component data Compiled value
Vc	[0.410; 0.412]	m3/kmol
Vc	0.412	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.410	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2840000		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
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
Cp,gas	[122.04; 379.27]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.60241e+01
Coefficient B			-4.54078e+02
Coefficient C			6.11158e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	122.04	J/mol×K	255.00	Calculated Property
Cp,gas	188.21	J/mol×K	393.33	Calculated Property
Cp,gas	238.03	J/mol×K	531.67	Calculated Property
Cp,gas	275.05	J/mol×K	670.00	Calculated Property
Cp,gas	303.22	J/mol×K	808.33	Calculated Property
Cp,gas	325.22	J/mol×K	946.67	Calculated Property
Cp,gas	342.83	J/mol×K	1085.00	Calculated Property
Cp,gas	357.21	J/mol×K	1223.33	Calculated Property
Cp,gas	369.17	J/mol×K	1361.67	Calculated Property
Cp,gas	379.27	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[245.46; 477.88]	J/mol×K	[295.20; 630.90]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			4.10910e+01
Coefficient B			6.92320e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			295.20
Temperature range, max.			630.90
Cp,liquid	245.46	J/mol×K	295.20	Calculated Property
Cp,liquid	271.29	J/mol×K	332.50	Calculated Property
Cp,liquid	297.11	J/mol×K	369.80	Calculated Property
Cp,liquid	322.93	J/mol×K	407.10	Calculated Property
Cp,liquid	348.76	J/mol×K	444.40	Calculated Property
Cp,liquid	374.58	J/mol×K	481.70	Calculated Property
Cp,liquid	400.41	J/mol×K	519.00	Calculated Property
Cp,liquid	426.23	J/mol×K	556.30	Calculated Property
Cp,liquid	452.05	J/mol×K	593.60	Calculated Property
Cp,liquid	477.88	J/mol×K	630.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054849; 0.0003041]	Pa×s	[265.15; 496.65]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.76980e+01
Coefficient B			2.48480e+03
Coefficient C			2.35130e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			265.15
Temperature range, max.			496.65
η	0.0054849	Pa×s	265.15	Calculated Property
η	0.0029772	Pa×s	290.87	Calculated Property
η	0.0018152	Pa×s	316.59	Calculated Property
η	0.0012094	Pa×s	342.32	Calculated Property
η	0.0008634	Pa×s	368.04	Calculated Property
η	0.0006511	Pa×s	393.76	Calculated Property
η	0.0005131	Pa×s	419.48	Calculated Property
η	0.0004192	Pa×s	445.21	Calculated Property
η	0.0003526	Pa×s	470.93	Calculated Property
η	0.0003041	Pa×s	496.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[62.70; 0.00]	kJ/mol	[265.15; 701.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			7.51400e+01
Coefficient B			3.80750e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.01000e+02
Comment			Range stopped at Tc; ChemSep gives it to 709 K.
Temperature range, min.			265.15
Temperature range, max.			701.00
ΔvapH	62.70	kJ/mol	265.15	Calculated Property
ΔvapH	59.95	kJ/mol	313.58	Calculated Property
ΔvapH	56.98	kJ/mol	362.01	Calculated Property
ΔvapH	53.73	kJ/mol	410.43	Calculated Property
ΔvapH	50.13	kJ/mol	458.86	Calculated Property
ΔvapH	46.05	kJ/mol	507.29	Calculated Property
ΔvapH	41.27	kJ/mol	555.72	Calculated Property
ΔvapH	35.37	kJ/mol	604.14	Calculated Property
ΔvapH	27.16	kJ/mol	652.57	Calculated Property
ΔvapH	0.00	kJ/mol	701.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[5.49e-05; 3555.95]	kPa	[265.15; 701.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			6.61942e+02
Coefficient B			-3.20790e+04
Coefficient C			-1.03420e+02
Coefficient D			9.93670e-02
Coefficient E			1.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 709 K.
Temperature range, min.			265.15
Temperature range, max.			701.00
Pvap	5.49e-05	kPa	265.15	Calculated Property
Pvap	0.03	kPa	313.58	Calculated Property
Pvap	0.98	kPa	362.01	Calculated Property
Pvap	9.65	kPa	410.43	Calculated Property
Pvap	44.38	kPa	458.86	Calculated Property
Pvap	134.60	kPa	507.29	Calculated Property
Pvap	328.83	kPa	555.72	Calculated Property
Pvap	730.45	kPa	604.14	Calculated Property
Pvap	1590.30	kPa	652.57	Calculated Property
Pvap	3555.95	kPa	701.00	Calculated Property
Pvap	[4.82e-05; 4237.31]	kPa	[265.15; 701.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			4.51315e+02
Coefficient B			-2.72868e+04
Coefficient C			-6.47318e+01
Coefficient D			4.09395e-05
Coefficient E			0.00000e+00
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
Pvap	[0.56; 101.13]	kPa	[352.00; 493.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38720e+01
Coefficient B			-3.65161e+03
Coefficient C			-9.91730e+01
Reference			Matthews, Sumner, et al., 1950
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			352.00
Temperature range, max.			493.70
Pvap	0.56	kPa	352.00	Calculated Property
Pvap	1.32	kPa	367.74	Calculated Property
Pvap	2.80	kPa	383.49	Calculated Property
Pvap	5.49	kPa	399.23	Calculated Property
Pvap	10.07	kPa	414.98	Calculated Property
Pvap	17.43	kPa	430.72	Calculated Property
Pvap	28.72	kPa	446.47	Calculated Property
Pvap	45.31	kPa	462.21	Calculated Property
Pvap	68.83	kPa	477.96	Calculated Property
Pvap	101.13	kPa	493.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1205.58; 550.90]	kg/m3	[265.15; 701.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			9.74471e+01
Coefficient B			2.62420e-01
Coefficient C			7.09000e+02
Coefficient D			2.72350e-01
Comment			Range stopped at Tc; ChemSep gives it to 709 K.
Temperature range, min.			265.15
Temperature range, max.			701.00
ρl	1205.58	kg/m3	265.15	Calculated Property
ρl	1162.39	kg/m3	313.58	Calculated Property
ρl	1116.94	kg/m3	362.01	Calculated Property
ρl	1068.68	kg/m3	410.43	Calculated Property
ρl	1016.82	kg/m3	458.86	Calculated Property
ρl	960.16	kg/m3	507.29	Calculated Property
ρl	896.64	kg/m3	555.72	Calculated Property
ρl	822.25	kg/m3	604.14	Calculated Property
ρl	726.77	kg/m3	652.57	Calculated Property
ρl	550.90	kg/m3	701.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[265.15; 496.15]	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			7.42178e-02
Coefficient B			-1.17400e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			265.15
Temperature range, max.			496.15
γ	0.04	N/m	265.15	Calculated Property
γ	0.04	N/m	290.82	Calculated Property
γ	0.04	N/m	316.48	Calculated Property
γ	0.03	N/m	342.15	Calculated Property
γ	0.03	N/m	367.82	Calculated Property
γ	0.03	N/m	393.48	Calculated Property
γ	0.03	N/m	419.15	Calculated Property
γ	0.02	N/m	444.82	Calculated Property
γ	0.02	N/m	470.48	Calculated Property
γ	0.02	N/m	496.15	Calculated Property
γ	[0.04; 0.00]	N/m	[265.15; 701.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			7.94610e-02
Coefficient B			1.25450e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.01000e+02
Comment			Range stopped at Tc; ChemSep gives it to 709 K.
Temperature range, min.			265.15
Temperature range, max.			701.00
γ	0.04	N/m	265.15	Calculated Property
γ	0.04	N/m	313.58	Calculated Property
γ	0.03	N/m	362.01	Calculated Property
γ	0.03	N/m	410.43	Calculated Property
γ	0.02	N/m	458.86	Calculated Property
γ	0.02	N/m	507.29	Calculated Property
γ	0.01	N/m	555.72	Calculated Property
γ	0.01	N/m	604.14	Calculated Property
γ	0.00	N/m	652.57	Calculated Property
γ	0.00	N/m	701.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.05]	W/m×K	[493.90; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			1.54240e-04
Coefficient B			9.19790e-01
Coefficient C			7.20580e+02
Coefficient D			0.00000e+00
Temperature range, min.			493.90
Temperature range, max.			1000.00
λgas	0.02	W/m×K	493.90	Calculated Property
λgas	0.02	W/m×K	550.13	Calculated Property
λgas	0.03	W/m×K	606.37	Calculated Property
λgas	0.03	W/m×K	662.60	Calculated Property
λgas	0.03	W/m×K	718.83	Calculated Property
λgas	0.04	W/m×K	775.07	Calculated Property
λgas	0.04	W/m×K	831.30	Calculated Property
λgas	0.04	W/m×K	887.53	Calculated Property
λgas	0.05	W/m×K	943.77	Calculated Property
λgas	0.05	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.15; 0.10]	W/m×K	[265.15; 493.90]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K
Coefficient A			2.05330e-01
Coefficient B			-2.07280e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			265.15
Temperature range, max.			493.90
λliquid	0.15	W/m×K	265.15	Calculated Property
λliquid	0.15	W/m×K	290.57	Calculated Property
λliquid	0.14	W/m×K	315.98	Calculated Property
λliquid	0.13	W/m×K	341.40	Calculated Property
λliquid	0.13	W/m×K	366.82	Calculated Property
λliquid	0.12	W/m×K	392.23	Calculated Property
λliquid	0.12	W/m×K	417.65	Calculated Property
λliquid	0.11	W/m×K	443.07	Calculated Property
λliquid	0.11	W/m×K	468.48	Calculated Property
λliquid	0.10	W/m×K	493.90	Calculated Property

Similar Compounds

Find more compounds similar to methyl salicylate.

Mixtures

• 2-Propanol + methyl salicylate
• methyl salicylate + Water
• Carbon dioxide + methyl salicylate
• Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)- + 2-Propanol + methyl salicylate

Sources

• KDB Vapor Pressure Data
• 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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• 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).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• 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.
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
• Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
• 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

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