Chemical Properties of Benzoic acid, ethyl ester (CAS 93-89-0)

Benzoic acid, ethyl ester

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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
150.17
CAS
93-89-0
Other Names
  • 2-methoxy-1-phenyl-ethanone
  • BENZOIC ETHER
  • ETHYL BENZENECARBOXYLATE
  • Essence of niobe
  • Ethyl benzoate
  • Ethylester kyseliny benzoove
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Physical Properties

Property Value Unit Source
ω 0.4800 KDB
Δf -96.61 kJ/mol Joback Calculated Property
Δfgas -237.36 kJ/mol Joback Calculated Property
Δfus 15.89 kJ/mol Joback Calculated Property
Δvap 61.10 ± 0.30 kJ/mol NIST
IE [8.90; 9.20] eV Show
IE 8.90 eV NIST
IE 9.20 eV NIST
log10WS [-2.32; -2.32]   Show
log10WS -2.32 Aq. Sol...
log10WS -2.32 Estimat...
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; 3050.00] kPa Show
Pc 2320.00 kPa KDB
Pc 3050.00 kPa Critica...
Inp [1133.38; 1206.00]   Show
Inp 1133.38 NIST
Inp 1153.14 NIST
Inp 1148.70 NIST
Inp 1144.00 NIST
Inp 1142.00 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 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 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 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 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 1133.38 NIST
Inp 1142.00 NIST
Inp 1157.00 NIST
Inp 1178.00 NIST
Inp 1164.00 NIST
Inp 1173.00 NIST
Inp 1175.00 NIST
Inp 1170.00 NIST
Inp 1172.00 NIST
Inp 1172.90 NIST
Inp 1143.00 NIST
Inp 1184.00 NIST
Inp 1156.00 NIST
Inp Outlier 1206.00 NIST
Inp 1155.00 NIST
I [1634.00; 1709.00]   Show
I Outlier 1706.00 NIST
I 1693.00 NIST
I 1689.00 NIST
I Outlier 1705.00 NIST
I 1685.00 NIST
I Outlier 1709.00 NIST
I 1683.00 NIST
I 1658.00 NIST
I 1640.00 NIST
I 1641.00 NIST
I 1645.00 NIST
I 1653.00 NIST
I 1645.00 NIST
I 1644.00 NIST
I 1651.00 NIST
I 1658.00 NIST
I 1644.00 NIST
I 1648.00 NIST
I 1649.00 NIST
I 1673.00 NIST
I 1673.00 NIST
I 1698.00 NIST
I 1651.00 NIST
I 1675.00 NIST
I 1653.00 NIST
I 1652.00 NIST
I 1650.00 NIST
I 1650.00 NIST
I 1650.00 NIST
I 1647.00 NIST
I 1650.00 NIST
I 1651.00 NIST
I 1655.00 NIST
I 1654.00 NIST
I 1676.00 NIST
I 1668.00 NIST
I 1655.00 NIST
I 1670.00 NIST
I 1649.00 NIST
I 1681.00 NIST
I 1672.00 NIST
I Outlier 1706.00 NIST
I 1681.00 NIST
I 1678.00 NIST
I 1664.00 NIST
I 1680.00 NIST
I 1640.00 NIST
I 1653.00 NIST
I 1640.00 NIST
I 1670.00 NIST
I 1673.00 NIST
I 1649.00 NIST
I 1657.00 NIST
I 1663.00 NIST
I 1653.00 NIST
I 1660.00 NIST
I 1660.00 NIST
I 1666.00 NIST
I 1647.00 NIST
I 1662.00 NIST
I 1662.00 NIST
I 1662.00 NIST
I 1650.00 NIST
I 1650.00 NIST
I 1647.00 NIST
I 1634.00 NIST
I 1643.00 NIST
I 1656.00 NIST
I 1693.00 NIST
I 1694.00 NIST
I 1693.00 NIST
I 1694.00 NIST
I 1650.00 NIST
I 1658.00 NIST
I 1647.00 NIST
I 1647.00 NIST
I 1653.00 NIST
I 1681.00 NIST
I 1685.00 NIST
I 1684.00 NIST
I 1677.00 NIST
I 1663.00 NIST
I 1645.00 NIST
I 1653.00 NIST
I 1658.00 NIST
I 1685.00 NIST
I 1683.00 NIST
I 1670.00 NIST
I 1681.00 NIST
Tboil [482.30; 486.20] K Show
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 K KDB
Tfus [238.30; 240.90] K Show
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
Vc 0.456 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [256.39; 321.72] J/mol×K [508.29; 724.46] Show
T(K)
Ideal gas heat capacity (J/mol×K)
250
260
270
280
290
300
310
320
550
600
650
700
Cp,gas 256.39 J/mol×K 508.29 Joback Calculated Property
Cp,gas 269.00 J/mol×K 544.32 Joback Calculated Property
Cp,gas 280.90 J/mol×K 580.35 Joback Calculated Property
Cp,gas 292.11 J/mol×K 616.37 Joback Calculated Property
Cp,gas 302.63 J/mol×K 652.40 Joback Calculated Property
Cp,gas 312.50 J/mol×K 688.43 Joback Calculated Property
Cp,gas 321.72 J/mol×K 724.46 Joback Calculated Property
Cp,liquid [241.80; 282.80] J/mol×K [290.00; 298.15] Show
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] Show
T(K)
Dynamic viscosity (Pa×s)
1.40e-3
1.60e-3
1.80e-3
2.00e-3
2.20e-3
2.40e-3
290
300
310
η 0.0024440 Pa×s 288.15 Densiti...
η 0.0019710 Pa×s 298.15 Densiti...
η 0.0017480 Pa×s 303.15 Viscosi...
η 0.0016240 Pa×s 308.15 Densiti...
η 0.0014380 Pa×s 313.15 Viscosi...
η 0.0013680 Pa×s 318.15 Densiti...
ΔvapH [43.60; 57.00] kJ/mol [310.50; 450.00] Show
T(K)
Enthalpy of vaporization at a given temperature (kJ/mol)
44
46
48
50
52
54
56
58
350
400
450
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 43.60 ± 0.50 kJ/mol 450.00 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
Pvap [7.10e-03; 0.29] kPa [283.90; 332.50] Show
T(K)
Vapor pressure (kPa)
0
0.05
0.1
0.15
0.2
0.25
0.3
300
320
Pvap 7.10e-03 kPa 283.90 Thermod...
Pvap 9.30e-03 kPa 286.90 Thermod...
Pvap 0.01 kPa 289.00 Thermod...
Pvap 0.01 kPa 292.00 Thermod...
Pvap 0.02 kPa 294.10 Thermod...
Pvap 0.02 kPa 295.00 Thermod...
Pvap 0.02 kPa 298.10 Thermod...
Pvap 0.03 kPa 299.10 Thermod...
Pvap 0.03 kPa 301.20 Thermod...
Pvap 0.04 kPa 304.20 Thermod...
Pvap 0.05 kPa 307.20 Thermod...
Pvap 0.06 kPa 310.10 Thermod...
Pvap 0.07 kPa 312.30 Thermod...
Pvap 0.09 kPa 315.30 Thermod...
Pvap 0.11 kPa 317.30 Thermod...
Pvap 0.13 kPa 320.30 Thermod...
Pvap 0.17 kPa 323.40 Thermod...
Pvap 0.20 kPa 326.40 Thermod...
Pvap 0.25 kPa 329.50 Thermod...
Pvap 0.29 kPa 332.50 Thermod...
ρl [1041.30; 1046.00] kg/m3 [293.00; 303.15] Show
T(K)
Liquid Density (kg/m3)
1041
1042
1043
1044
1045
1046
295
300
ρl 1046.00 kg/m3 293.00 KDB
ρl 1041.30 kg/m3 298.15 Excess ...
ρl 1041.30 kg/m3 298.15 Excess ...
ρl 1041.42 kg/m3 298.15 Refract...
ρl 1042.00 kg/m3 303.15 Study o...
γ [0.03; 0.04] N/m [288.15; 358.15] Show
T(K)
Surface Tension (N/m)
0.03
0.03
0.03
0.03
0.04
300
320
340
γ 0.04 N/m 288.15 Densiti...
γ 0.03 N/m 298.15 Densiti...
γ 0.03 N/m 308.15 Densiti...
γ 0.03 N/m 318.15 Densiti...
γ 0.03 N/m 328.15 Densiti...
γ 0.03 N/m 338.15 Densiti...
γ 0.03 N/m 348.15 Densiti...
γ 0.03 N/m 358.15 Densiti...

Pressure Dependent Properties

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

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [358.72; 517.33] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52741e+01
Coefficient B-4.71347e+03
Coefficient C-4.42100e+01
Temperature range, min.358.72
Temperature range, max.517.33
T(K)
Vapor pressure (kPa)
0
50
100
150
200
400
450
500
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 [1.25e-04; 3203.03] kPa [238.45; 698.00] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.97631e+01
Coefficient B-8.66976e+03
Coefficient C-7.77947e+00
Coefficient D3.43034e-06
Temperature range, min.238.45
Temperature range, max.698.00
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
3500
400
600
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

Similar Compounds

1,4-Benzenedicarboxylic acid, diethyl ester. Benzoic acid 2-bromoethyl ester. 1,3-Benzenedicarboxylic acid, diethyl ester. 1,2-Ethanediol, dibenzoate. 2-Chloroethyl benzoate. Ethyl 4-cyanobenzoate. 1,2-Ethanediol, monobenzoate. Ethyl 4-iodobenzoate. Ethyl «beta»-naphthoate. Benzoic acid, 1-methylethyl ester. 2,2-Dichloroethyl benzoate. 2-Propyn-1-ol, benzoate. Terephthalic acid, ethyl 2,2,2-trifluoroethyl ester. Ethyl-4-chlorobenzoate. Benzoic acid, 4-bromo-, ethyl ester.

Find more compounds similar to Benzoic acid, ethyl ester.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.