Chemical Properties of ETHYL BENZOATE (CAS 93-89-0)

InChI

InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI Key

MTZQAGJQAFMTAQ-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

CCOC(=O)c1ccccc1

Molecular Weight¹

150.18

CAS

93-89-0

Other Names

• 2-methoxy-1-phenyl-ethanone
• Benzoic ether
• Essence of niobe
• Ethylester kyseliny benzoove
• benzoic acid, ethyl ester
• ethyl benzenecarboxylate

• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• 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_boilr : Boiling point at reduced pressure (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.
• 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	[0.4771; 0.4800]
ω	0.4800		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4771		ChemSep v8.3 pure component data Compiled value
ω	0.4800		KDB
μ	2.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-190.50	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-326.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	17.48	kJ/mol	Joback Calculated Property
ΔvapH°	61.10 ± 0.30	kJ/mol	NIST
IE	[8.90; 9.20]	eV
IE	8.90	eV	NIST
IE	9.20	eV	NIST
log10WS	[-2.32; -2.32]
log10WS	-2.32		Aq. Solubility Prediction
log10WS	-2.32		Estimated Solubility
logPoct/wat	1.863		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	1		KDB
Pc	[2320.00; 3242.40]	kPa
Pc	3050.00	kPa	Critical Point Measurements for n-Alkyl Benzoates (C8 to C13)
Pc	3242.40	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3180.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2320.00	kPa	KDB
Ptriple	1.69e-04	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[1133.38; 1206.00]
Inp	1133.38		NIST
Inp	1142.00		NIST
Inp	1157.00		NIST
Inp	1178.00		NIST
Inp	1164.00		NIST
Inp	1133.38		NIST
Inp	1153.14		NIST
Inp	1148.70		NIST
Inp	1144.00		NIST
Inp	1142.00		NIST
Inp	1174.00		NIST
Inp	1147.00		NIST
Inp	1169.00		NIST
Inp	1166.00		NIST
Inp	1157.00		NIST
Inp	1176.00		NIST
Inp	1164.00		NIST
Inp	1176.00		NIST
Inp	1179.00		NIST
Inp	1178.00		NIST
Inp	1160.00		NIST
Inp	1171.00		NIST
Inp	1152.00		NIST
Inp	1157.00		NIST
Inp	1164.00		NIST
Inp	1160.00		NIST
Inp	1160.00		NIST
Inp	1171.00		NIST
Inp	1143.00		NIST
Inp	1154.00		NIST
Inp	1149.00		NIST
Inp	1154.00		NIST
Inp	1172.00		NIST
Inp	1180.00		NIST
Inp	1171.00		NIST
Inp	1168.00		NIST
Inp	1173.00		NIST
Inp	1172.90		NIST
Inp	1173.00		NIST
Inp	1170.00		NIST
Inp	1171.00		NIST
Inp	1170.00		NIST
Inp	1170.00		NIST
Inp	1141.00		NIST
Inp	1171.00		NIST
Inp	1175.00		NIST
Inp	1172.00		NIST
Inp	1143.00		NIST
Inp	1138.20		NIST
Inp	1170.00		NIST
Inp	1170.00		NIST
Inp	1141.00		NIST
Inp	1184.00		NIST
Inp	1168.00		NIST
Inp	1179.00		NIST
Inp	1147.00		NIST
Inp	1157.00		NIST
Inp	1143.00		NIST
Inp	1155.00		NIST
Inp	1145.00		NIST
Inp	1154.00		NIST
Inp	1155.00		NIST
Inp	1143.00		NIST
Inp	1154.00		NIST
Inp	1145.00		NIST
Inp	1153.00		NIST
Inp	1154.00		NIST
Inp	1156.00		NIST
Inp	1155.00		NIST
Inp	1156.00		NIST
Inp	1153.00		NIST
Inp	Outlier 1206.00		NIST
Inp	1169.00		NIST
Inp	1172.00		NIST
Inp	1160.00		NIST
Inp	1155.00		NIST
Inp	1170.00		NIST
Inp	1187.00		NIST
Inp	1170.00		NIST
Inp	1140.00		NIST
Inp	1139.00		NIST
Inp	1145.00		NIST
Inp	1145.00		NIST
Inp	1141.00		NIST
Inp	1175.00		NIST
Inp	1176.00		NIST
Inp	1177.00		NIST
Inp	1176.00		NIST
Inp	1175.00		NIST
Inp	1146.00		NIST
Inp	1171.00		NIST
Inp	1170.80		NIST
Inp	1170.00		NIST
Inp	1165.00		NIST
Inp	1170.00		NIST
Inp	1138.00		NIST
Inp	1147.00		NIST
Inp	1176.00		NIST
Inp	1170.00		NIST
Inp	1170.00		NIST
Inp	1179.00		NIST
Inp	1146.00		NIST
Inp	1150.00		NIST
Inp	1143.00		NIST
Inp	1147.00		NIST
Inp	1154.00		NIST
Inp	1139.00		NIST
Inp	1143.00		NIST
Inp	1149.00		NIST
Inp	1184.00		NIST
Inp	1147.00		NIST
Inp	1173.00		NIST
Inp	1151.00		NIST
Inp	1177.00		NIST
Inp	1174.00		NIST
Inp	1171.00		NIST
Inp	1175.00		NIST
Inp	1172.00		NIST
Inp	1168.00		NIST
Inp	1162.00		NIST
Inp	1154.00		NIST
Inp	1170.00		NIST
Inp	1173.00		NIST
Inp	1156.00		NIST
Inp	1170.00		NIST
Inp	1185.00		NIST
Inp	1170.00		NIST
Inp	1146.00		NIST
Inp	1151.00		NIST
Inp	1143.00		NIST
Inp	1154.00		NIST
Inp	Outlier 1206.00		NIST
Inp	1155.00		NIST
Inp	1172.00		NIST
Inp	1172.90		NIST
Inp	1170.00		NIST
Inp	1143.00		NIST
Inp	1184.00		NIST
Inp	1156.00		NIST
Inp	1173.00		NIST
Inp	1175.00		NIST
Ip	[1634.00; 1709.00]
Ip	Outlier 1706.00		NIST
Ip	1693.00		NIST
Ip	1689.00		NIST
Ip	Outlier 1705.00		NIST
Ip	1685.00		NIST
Ip	Outlier 1709.00		NIST
Ip	1683.00		NIST
Ip	1658.00		NIST
Ip	1640.00		NIST
Ip	1641.00		NIST
Ip	1645.00		NIST
Ip	1653.00		NIST
Ip	1645.00		NIST
Ip	1644.00		NIST
Ip	1651.00		NIST
Ip	1658.00		NIST
Ip	1644.00		NIST
Ip	1648.00		NIST
Ip	1649.00		NIST
Ip	1673.00		NIST
Ip	1673.00		NIST
Ip	1698.00		NIST
Ip	1651.00		NIST
Ip	1675.00		NIST
Ip	1653.00		NIST
Ip	1652.00		NIST
Ip	1650.00		NIST
Ip	1650.00		NIST
Ip	1650.00		NIST
Ip	1647.00		NIST
Ip	1650.00		NIST
Ip	1651.00		NIST
Ip	1655.00		NIST
Ip	1654.00		NIST
Ip	1676.00		NIST
Ip	1668.00		NIST
Ip	1655.00		NIST
Ip	1670.00		NIST
Ip	1649.00		NIST
Ip	1681.00		NIST
Ip	1672.00		NIST
Ip	Outlier 1706.00		NIST
Ip	1681.00		NIST
Ip	1678.00		NIST
Ip	1664.00		NIST
Ip	1680.00		NIST
Ip	1640.00		NIST
Ip	1653.00		NIST
Ip	1640.00		NIST
Ip	1670.00		NIST
Ip	1673.00		NIST
Ip	1649.00		NIST
Ip	1657.00		NIST
Ip	1663.00		NIST
Ip	1653.00		NIST
Ip	1660.00		NIST
Ip	1660.00		NIST
Ip	1666.00		NIST
Ip	1647.00		NIST
Ip	1662.00		NIST
Ip	1662.00		NIST
Ip	1662.00		NIST
Ip	1650.00		NIST
Ip	1650.00		NIST
Ip	1647.00		NIST
Ip	1634.00		NIST
Ip	1643.00		NIST
Ip	1656.00		NIST
Ip	1693.00		NIST
Ip	1694.00		NIST
Ip	1693.00		NIST
Ip	1694.00		NIST
Ip	1650.00		NIST
Ip	1658.00		NIST
Ip	1647.00		NIST
Ip	1647.00		NIST
Ip	1653.00		NIST
Ip	1681.00		NIST
Ip	1685.00		NIST
Ip	1684.00		NIST
Ip	1677.00		NIST
Ip	1663.00		NIST
Ip	1645.00		NIST
Ip	1670.00		NIST
Ip	1681.00		NIST
Ip	1653.00		NIST
Ip	1658.00		NIST
Ip	1685.00		NIST
Ip	1683.00		NIST
Tboil	[482.30; 486.20]	K
Tboil	485.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	485.70	K	KDB
Tboil	486.20	K	NIST
Tboil	486.00	K	NIST
Tboil	485.65 ± 0.40	K	NIST
Tboil	485.60 ± 0.30	K	NIST
Tboil	485.60 ± 0.50	K	NIST
Tboil	485.60 ± 0.50	K	NIST
Tboil	484.00 ± 4.00	K	NIST
Tboil	Outlier 482.30 ± 0.60	K	NIST
Tboil	486.05 ± 0.40	K	NIST
Tboil	484.95 ± 1.00	K	NIST
Tc	[668.70; 698.00]	K
Tc	697.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	698.00	K	ChemSep v8.3 pure component data Compiled value
Tc	668.70	K	KDB
Tfus	[238.30; 240.90]	K
Tfus	239.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	238.45	K	ChemSep v8.3 pure component data Compiled value
Tfus	238.30	K	KDB
Tfus	239.00	K	NIST
Tfus	238.40 ± 0.30	K	NIST
Tfus	238.45 ± 0.30	K	NIST
Tfus	238.60 ± 0.40	K	NIST
Tfus	Outlier 240.90 ± 0.40	K	NIST
Tfus	238.95 ± 0.40	K	NIST
Ttriple	238.45	K	ChemSep v8.3 pure component data Compiled value
UQi	4.71		ChemSep v8.3 pure component data Compiled value
Vc	[0.451; 0.489]	m3/kmol
Vc	0.451	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.489	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2680000		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[241.80; 282.80]	J/mol×K	[290.00; 298.15]
Cp,liquid	282.80	J/mol×K	290.00	NIST
Cp,liquid	241.80	J/mol×K	292.70	NIST
Cp,liquid	241.80	J/mol×K	292.70	NIST
Cp,liquid	246.00	J/mol×K	298.15	NIST
η	[0.0013680; 0.0024440]	Pa×s	[288.15; 318.15]
η	0.0024440	Pa×s	288.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
η	0.0019710	Pa×s	298.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
η	0.0017480	Pa×s	303.15	Viscosity, Density, and Refractive Index of Some (Ester + Hydrocarbon) Binary Mixtures at 303.15 K and 313.15 K
η	0.0016240	Pa×s	308.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
η	0.0014380	Pa×s	313.15	Viscosity, Density, and Refractive Index of Some (Ester + Hydrocarbon) Binary Mixtures at 303.15 K and 313.15 K
η	0.0013680	Pa×s	318.15	Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
ΔvapH	[43.60; 57.00]	kJ/mol	[310.50; 450.00]
ΔvapH	55.90	kJ/mol	310.50	NIST
ΔvapH	57.00	kJ/mol	392.00	NIST
ΔvapH	50.50	kJ/mol	392.00	NIST
ΔvapH	51.90	kJ/mol	401.50	NIST
ΔvapH	50.40	kJ/mol	422.50	NIST
ΔvapH	52.50 ± 0.20	kJ/mol	450.00	NIST
ΔvapH	49.60 ± 0.20	kJ/mol	450.00	NIST
ΔvapH	46.70 ± 0.30	kJ/mol	450.00	NIST
ΔvapH	43.60 ± 0.50	kJ/mol	450.00	NIST
Pvap	[7.10e-03; 0.29]	kPa	[283.90; 332.50]
Pvap	7.10e-03	kPa	283.90	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	9.30e-03	kPa	286.90	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.01	kPa	289.00	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.01	kPa	292.00	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.02	kPa	294.10	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.02	kPa	295.00	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.02	kPa	298.10	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.03	kPa	299.10	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.03	kPa	301.20	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.04	kPa	304.20	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.05	kPa	307.20	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.06	kPa	310.10	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.07	kPa	312.30	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.09	kPa	315.30	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.11	kPa	317.30	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.13	kPa	320.30	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.17	kPa	323.40	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.20	kPa	326.40	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.25	kPa	329.50	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
Pvap	0.29	kPa	332.50	Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
ρl	[1041.30; 1046.00]	kg/m3	[293.00; 303.15]
ρl	1046.00	kg/m3	293.00	KDB
ρl	1041.30	kg/m3	298.15	Excess Molar Entalpies of Dimethyl Carbonate with o-Xylene, m-Xylene, p-Xylene, Ethylbenzene, or Ethyl Benzoate at 298.15 K
ρl	1041.30	kg/m3	298.15	Excess Molar Enthalpies for Dimethyl Carbonate with o-Xylene, m-Xylene, p-Xylene, Ethylbenzene or Ethyl Benzoate at 298.15 K and 10.2 MPa
ρl	1041.42	kg/m3	298.15	Refractive Indices and Surface Tensions of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
ρl	1042.00	kg/m3	303.15	Study of molecular interactions in the mixtures of some primary alcohols with equimolar mixture of 1-propanol and alkylbenzoates at T = 303.15 K
γ	[0.03; 0.04]	N/m	[288.15; 358.15]
γ	0.04	N/m	288.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	298.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	308.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	318.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	328.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	338.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	348.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
γ	0.03	N/m	358.15	Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[360.20; 360.30]	K	[1.30; 1.30]
Tboilr	360.20	K	1.30	NIST
Tboilr	360.30	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.87; 419.92]	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			4.35817e+01
Coefficient B			-4.90318e+02
Coefficient C			6.25737e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	119.87	J/mol×K	255.00	Calculated Property
Cp,gas	193.61	J/mol×K	393.33	Calculated Property
Cp,gas	251.08	J/mol×K	531.67	Calculated Property
Cp,gas	294.61	J/mol×K	670.00	Calculated Property
Cp,gas	328.10	J/mol×K	808.33	Calculated Property
Cp,gas	354.47	J/mol×K	946.67	Calculated Property
Cp,gas	375.69	J/mol×K	1085.00	Calculated Property
Cp,gas	393.10	J/mol×K	1223.33	Calculated Property
Cp,gas	407.63	J/mol×K	1361.67	Calculated Property
Cp,gas	419.92	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[212.87; 357.31]	J/mol×K	[238.45; 628.20]	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			1.24500e+02
Coefficient B			3.70600e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			238.45
Temperature range, max.			628.20
Cp,liquid	212.87	J/mol×K	238.45	Calculated Property
Cp,liquid	228.92	J/mol×K	281.76	Calculated Property
Cp,liquid	244.97	J/mol×K	325.06	Calculated Property
Cp,liquid	261.02	J/mol×K	368.37	Calculated Property
Cp,liquid	277.07	J/mol×K	411.67	Calculated Property
Cp,liquid	293.11	J/mol×K	454.98	Calculated Property
Cp,liquid	309.16	J/mol×K	498.28	Calculated Property
Cp,liquid	325.21	J/mol×K	541.59	Calculated Property
Cp,liquid	341.26	J/mol×K	584.89	Calculated Property
Cp,liquid	357.31	J/mol×K	628.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066429; 0.0003109]	Pa×s	[250.00; 486.55]	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			-4.07060e+01
Coefficient B			3.03500e+03
Coefficient C			4.26550e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			250.00
Temperature range, max.			486.55
η	0.0066429	Pa×s	250.00	Calculated Property
η	0.0032061	Pa×s	276.28	Calculated Property
η	0.0018193	Pa×s	302.57	Calculated Property
η	0.0011642	Pa×s	328.85	Calculated Property
η	0.0008162	Pa×s	355.13	Calculated Property
η	0.0006142	Pa×s	381.42	Calculated Property
η	0.0004886	Pa×s	407.70	Calculated Property
η	0.0004064	Pa×s	433.98	Calculated Property
η	0.0003503	Pa×s	460.27	Calculated Property
η	0.0003109	Pa×s	486.55	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[58.38; 0.00]	kJ/mol	[238.45; 698.00]	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			6.70930e+01
Coefficient B			3.32730e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			6.98000e+02
Temperature range, min.			238.45
Temperature range, max.			698.00
ΔvapH	58.38	kJ/mol	238.45	Calculated Property
ΔvapH	56.14	kJ/mol	289.51	Calculated Property
ΔvapH	53.70	kJ/mol	340.57	Calculated Property
ΔvapH	51.01	kJ/mol	391.63	Calculated Property
ΔvapH	48.01	kJ/mol	442.69	Calculated Property
ΔvapH	44.58	kJ/mol	493.76	Calculated Property
ΔvapH	40.51	kJ/mol	544.82	Calculated Property
ΔvapH	35.39	kJ/mol	595.88	Calculated Property
ΔvapH	28.10	kJ/mol	646.94	Calculated Property
ΔvapH	0.00	kJ/mol	698.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[358.72; 517.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52741e+01
Coefficient B			-4.71347e+03
Coefficient C			-4.42100e+01
Temperature range, min.			358.72
Temperature range, max.			517.33
Pvap	1.33	kPa	358.72	Calculated Property
Pvap	2.95	kPa	376.34	Calculated Property
Pvap	6.04	kPa	393.97	Calculated Property
Pvap	11.52	kPa	411.59	Calculated Property
Pvap	20.73	kPa	429.21	Calculated Property
Pvap	35.42	kPa	446.84	Calculated Property
Pvap	57.87	kPa	464.46	Calculated Property
Pvap	90.89	kPa	482.08	Calculated Property
Pvap	137.84	kPa	499.71	Calculated Property
Pvap	202.67	kPa	517.33	Calculated Property
Pvap	[1.69e-04; 3202.56]	kPa	[238.45; 698.00]	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			4.60152e+01
Coefficient B			-7.53170e+03
Coefficient C			-4.23470e+00
Coefficient D			1.18350e-06
Coefficient E			2.00000e+00
Temperature range, min.			238.45
Temperature range, max.			698.00
Pvap	1.69e-04	kPa	238.45	Calculated Property
Pvap	0.02	kPa	289.51	Calculated Property
Pvap	0.52	kPa	340.57	Calculated Property
Pvap	5.38	kPa	391.63	Calculated Property
Pvap	30.95	kPa	442.69	Calculated Property
Pvap	119.83	kPa	493.76	Calculated Property
Pvap	351.34	kPa	544.82	Calculated Property
Pvap	842.11	kPa	595.88	Calculated Property
Pvap	1737.97	kPa	646.94	Calculated Property
Pvap	3202.56	kPa	698.00	Calculated Property
Pvap	[1.25e-04; 3203.03]	kPa	[238.45; 698.00]	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			6.97631e+01
Coefficient B			-8.66976e+03
Coefficient C			-7.77947e+00
Coefficient D			3.43034e-06
Coefficient E			0.00000e+00
Temperature range, min.			238.45
Temperature range, max.			698.00
Pvap	1.25e-04	kPa	238.45	Calculated Property
Pvap	0.02	kPa	289.51	Calculated Property
Pvap	0.52	kPa	340.57	Calculated Property
Pvap	5.51	kPa	391.63	Calculated Property
Pvap	31.56	kPa	442.69	Calculated Property
Pvap	120.54	kPa	493.76	Calculated Property
Pvap	348.62	kPa	544.82	Calculated Property
Pvap	829.21	kPa	595.88	Calculated Property
Pvap	1714.57	kPa	646.94	Calculated Property
Pvap	3203.03	kPa	698.00	Calculated Property
Pvap	[0.13; 101.39]	kPa	[317.00; 486.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55771e+01
Coefficient B			-4.92640e+03
Coefficient C			-3.70320e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			317.00
Temperature range, max.			486.60
Pvap	0.13	kPa	317.00	Calculated Property
Pvap	0.40	kPa	335.84	Calculated Property
Pvap	1.07	kPa	354.69	Calculated Property
Pvap	2.55	kPa	373.53	Calculated Property
Pvap	5.55	kPa	392.38	Calculated Property
Pvap	11.15	kPa	411.22	Calculated Property
Pvap	20.96	kPa	430.07	Calculated Property
Pvap	37.20	kPa	448.91	Calculated Property
Pvap	62.77	kPa	467.76	Calculated Property
Pvap	101.39	kPa	486.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1094.90; 307.11]	kg/m3	[238.45; 698.00]	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			7.33815e+01
Coefficient B			2.38940e-01
Coefficient C			6.98000e+02
Coefficient D			2.84210e-01
Temperature range, min.			238.45
Temperature range, max.			698.00
ρl	1094.90	kg/m3	238.45	Calculated Property
ρl	1050.02	kg/m3	289.51	Calculated Property
ρl	1003.03	kg/m3	340.57	Calculated Property
ρl	953.42	kg/m3	391.63	Calculated Property
ρl	900.40	kg/m3	442.69	Calculated Property
ρl	842.81	kg/m3	493.76	Calculated Property
ρl	778.59	kg/m3	544.82	Calculated Property
ρl	703.62	kg/m3	595.88	Calculated Property
ρl	606.68	kg/m3	646.94	Calculated Property
ρl	307.11	kg/m3	698.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.01]	N/m	[238.15; 485.15]	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			6.60866e-02
Coefficient B			-1.05900e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			238.15
Temperature range, max.			485.15
γ	0.04	N/m	238.15	Calculated Property
γ	0.04	N/m	265.59	Calculated Property
γ	0.04	N/m	293.04	Calculated Property
γ	0.03	N/m	320.48	Calculated Property
γ	0.03	N/m	347.93	Calculated Property
γ	0.03	N/m	375.37	Calculated Property
γ	0.02	N/m	402.82	Calculated Property
γ	0.02	N/m	430.26	Calculated Property
γ	0.02	N/m	457.71	Calculated Property
γ	0.01	N/m	485.15	Calculated Property
γ	[0.04; 0.00]	N/m	[238.45; 698.00]	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			6.79100e-02
Coefficient B			1.20370e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			6.98000e+02
Temperature range, min.			238.45
Temperature range, max.			698.00
γ	0.04	N/m	238.45	Calculated Property
γ	0.04	N/m	289.51	Calculated Property
γ	0.03	N/m	340.57	Calculated Property
γ	0.03	N/m	391.63	Calculated Property
γ	0.02	N/m	442.69	Calculated Property
γ	0.02	N/m	493.76	Calculated Property
γ	0.01	N/m	544.82	Calculated Property
γ	0.01	N/m	595.88	Calculated Property
γ	0.00	N/m	646.94	Calculated Property
γ	0.00	N/m	698.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.06]	W/m×K	[486.55; 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			2.01200e-05
Coefficient B			1.15130e+00
Coefficient C			-8.95830e+01
Coefficient D			1.25410e+05
Temperature range, min.			486.55
Temperature range, max.			1000.00
λgas	0.02	W/m×K	486.55	Calculated Property
λgas	0.02	W/m×K	543.60	Calculated Property
λgas	0.03	W/m×K	600.65	Calculated Property
λgas	0.03	W/m×K	657.70	Calculated Property
λgas	0.03	W/m×K	714.75	Calculated Property
λgas	0.04	W/m×K	771.80	Calculated Property
λgas	0.04	W/m×K	828.85	Calculated Property
λgas	0.05	W/m×K	885.90	Calculated Property
λgas	0.05	W/m×K	942.95	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.10]	W/m×K	[238.45; 549.40]	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			2.15136e-01
Coefficient B			-2.71243e-04
Coefficient C			9.59276e-08
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			238.45
Temperature range, max.			549.40
λliquid	0.16	W/m×K	238.45	Calculated Property
λliquid	0.15	W/m×K	273.00	Calculated Property
λliquid	0.14	W/m×K	307.55	Calculated Property
λliquid	0.13	W/m×K	342.10	Calculated Property
λliquid	0.13	W/m×K	376.65	Calculated Property
λliquid	0.12	W/m×K	411.20	Calculated Property
λliquid	0.11	W/m×K	445.75	Calculated Property
λliquid	0.11	W/m×K	480.30	Calculated Property
λliquid	0.10	W/m×K	514.85	Calculated Property
λliquid	0.10	W/m×K	549.40	Calculated Property

Similar Compounds

Find more compounds similar to ETHYL BENZOATE.

Mixtures

• 1-Propanol + 1-Butanol + ETHYL BENZOATE
• 1-Propanol + 1-Pentanol + ETHYL BENZOATE
• 1-Propanol + ETHYL BENZOATE
• ETHYL BENZOATE + o-Xylene
• Benzene, 1,3-dimethyl- + ETHYL BENZOATE
• p-Xylene + ETHYL BENZOATE
• Benzene, ethyl- + ETHYL BENZOATE
• Ethanol + ETHYL BENZOATE
• Carbon dioxide + ETHYL BENZOATE
• Carbonic acid, dimethyl ester + ETHYL BENZOATE

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).
• 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.
• 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
• Study of molecular interactions in the mixtures of some primary alcohols with equimolar mixture of 1-propanol and alkylbenzoates at T = 303.15 K
• 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
• Excess Molar Entalpies of Dimethyl Carbonate with o-Xylene, m-Xylene, p-Xylene, Ethylbenzene, or Ethyl Benzoate at 298.15 K
• Excess Molar Enthalpies for Dimethyl Carbonate with o-Xylene, m-Xylene, p-Xylene, Ethylbenzene or Ethyl Benzoate at 298.15 K and 10.2 MPa
• Partition Coefficients of Organic Solutes between Supercritical Carbon Dioxide and Water: Experimental Measurements and Empirical Correlations
• Viscosity, Density, and Refractive Index of Some (Ester + Hydrocarbon) Binary Mixtures at 303.15 K and 313.15 K
• Densities, Viscosities, Refractive Indices, and Surface Tensions for 12 Flavor Esters from T ) 288.15 K to T ) 358.15 K
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
• Densities and Viscosities of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at T = (288.15, 298.15, 308.15, and 318.15) K
• Refractive Indices and Surface Tensions of Binary Mixtures of Isoamyl Acetate, Ethyl Caproate, Ethyl Benzoate, Isoamyl Butyrate, Ethyl Phenylacetate, and Ethyl Caprylate with Ethanol at (288.15, 298.15, 308.15, and 318.15) K
• Critical Point Measurements for n-Alkyl Benzoates (C8 to C13)
• Limiting Diffusion Coefficients of Ethyl Benzoate, Benzylacetone, and Eugenol in Carbon Dioxide at Supercritical Conditions
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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