Chemical Properties of Benzoic acid, methyl ester (CAS 93-58-3)

Benzoic acid, methyl ester

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InChI
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Formula
C8H8O2
SMILES
COC(=O)c1ccccc1
Molecular Weight1
136.15
CAS
93-58-3
Other Names
  • CLORIUS
  • Essence of niobe
  • METHYL BENZENECARBOXYLATE
  • Methyl benzoate
  • Methyl ester of benzoic acid
  • Methylester kyseliny benzoove
  • NSC 9394
  • Niobe oil
  • Oil of Niobe
  • Oniobe oil
  • Oxidate le
  • UN 2938
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Physical Properties

Property Value Unit Source
ω 0.4300 KDB
PAff 850.50 kJ/mol NIST
BasG [814.90; 819.50] kJ/mol Show Hide
BasG 819.50 kJ/mol NIST
BasG 814.90 ± 0.50 kJ/mol NIST
Δcliquid -3947.90 ± 2.40 kJ/mol NIST
μ 1.90 debye KDB
EA 0.18 eV NIST
Δf -105.03 kJ/mol Joback Calculated Property
Δfgas [-299.80; -254.10] kJ/mol Show Hide
Δfgas -254.10 kJ/mol KDB
Δfgas -269.30 ± 5.10 kJ/mol NIST
Δfgas -299.80 kJ/mol NIST
Δfliquid [-343.50; -324.30] kJ/mol Show Hide
Δfliquid -324.30 ± 3.00 kJ/mol NIST
Δfliquid -343.50 kJ/mol NIST
Δfus 13.30 kJ/mol Joback Calculated Property
Δvap [43.70; 55.60] kJ/mol Show Hide
Δvap 53.40 kJ/mol NIST
Δvap 53.80 kJ/mol NIST
Δvap 54.70 kJ/mol NIST
Δvap 53.90 kJ/mol NIST
Δvap 55.00 kJ/mol NIST
Δvap 55.60 ± 0.10 kJ/mol NIST
Δvap 43.72 kJ/mol NIST
Δvap 43.70 kJ/mol NIST
Δvap 55.57 ± 0.04 kJ/mol NIST
IE [9.28; 9.79] eV Show Hide
IE 9.32 ± 0.04 eV NIST
IE 9.32 ± 0.03 eV NIST
IE 9.48 eV NIST
IE 9.28 eV NIST
IE 9.40 ± 0.10 eV NIST
IE 9.49 eV NIST
IE 9.35 ± 0.03 eV NIST
IE 9.40 ± 0.03 eV NIST
IE 9.35 ± 0.06 eV NIST
IE Outlier 9.79 eV NIST
IE 9.50 eV NIST
IE 9.34 eV NIST
log10WS [-1.85; -1.85]   Show Hide
log10WS -1.85 Aq. Sol...
log10WS -1.85 Estimat...
logPoct/wat 1.473 Crippen Calculated Property
McVol 107.260 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
Pc [3460.00; 3640.00] kPa Show Hide
Pc 3640.00 kPa KDB
Pc 3460.00 kPa Critica...
Inp [183.27; 1130.00]   Show Hide
Inp 1077.80 NIST
Inp 1067.00 NIST
Inp 1064.00 NIST
Inp 1063.00 NIST
Inp 1097.00 NIST
Inp 1100.00 NIST
Inp 1101.00 NIST
Inp 1090.00 NIST
Inp 1101.00 NIST
Inp 1095.00 NIST
Inp 1078.00 NIST
Inp 1081.00 NIST
Inp 1087.00 NIST
Inp 1092.00 NIST
Inp 1109.00 NIST
Inp 1072.00 NIST
Inp 1076.00 NIST
Inp 1106.00 NIST
Inp 1078.00 NIST
Inp 1075.00 NIST
Inp 1074.00 NIST
Inp 1063.00 NIST
Inp 1096.00 NIST
Inp 1102.00 NIST
Inp 1094.00 NIST
Inp 1095.00 NIST
Inp 1096.00 NIST
Inp 1096.00 NIST
Inp 1097.00 NIST
Inp 1091.00 NIST
Inp 1094.00 NIST
Inp 1090.00 NIST
Inp 1071.00 NIST
Inp 1092.00 NIST
Inp 1091.00 NIST
Inp 1084.00 NIST
Inp 1065.00 NIST
Inp 1060.00 NIST
Inp 1092.00 NIST
Inp 1066.00 NIST
Inp 1091.00 NIST
Inp 1061.40 NIST
Inp 1100.00 NIST
Inp 1105.00 NIST
Inp 1091.00 NIST
Inp 1075.80 NIST
Inp 1066.00 NIST
Inp 1092.46 NIST
Inp 1096.30 NIST
Inp 1092.00 NIST
Inp 1062.00 NIST
Inp 1062.00 NIST
Inp 1062.00 NIST
Inp 1070.00 NIST
Inp 1064.00 NIST
Inp 1065.00 NIST
Inp 1064.00 NIST
Inp 1071.00 NIST
Inp 1102.00 NIST
Inp 1081.00 NIST
Inp 1071.00 NIST
Inp 1078.00 NIST
Inp 1080.00 NIST
Inp 1103.00 NIST
Inp 1092.00 NIST
Inp 1091.00 NIST
Inp 1095.00 NIST
Inp 1083.00 NIST
Inp 1093.00 NIST
Inp 1088.00 NIST
Inp 1096.00 NIST
Inp 1096.00 NIST
Inp 1096.00 NIST
Inp 1092.00 NIST
Inp 1095.00 NIST
Inp 1094.00 NIST
Inp 1081.00 NIST
Inp 1091.00 NIST
Inp 1094.00 NIST
Inp 1094.00 NIST
Inp 1063.00 NIST
Inp 1066.00 NIST
Inp 1067.00 NIST
Inp 1082.00 NIST
Inp 1082.00 NIST
Inp 1094.00 NIST
Inp 1067.00 NIST
Inp 1130.00 NIST
Inp 1090.00 NIST
Inp 1097.00 NIST
Inp 1097.00 NIST
Inp 1093.00 NIST
Inp 1098.00 NIST
Inp 1104.00 NIST
Inp 1107.00 NIST
Inp 1107.00 NIST
Inp 1094.60 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1071.00 NIST
Inp 1066.00 NIST
Inp 1073.00 NIST
Inp 1073.00 NIST
Inp 1073.00 NIST
Inp 1105.00 NIST
Inp 1090.00 NIST
Inp 1091.00 NIST
Inp 1062.00 NIST
Inp 1071.00 NIST
Inp 1064.00 NIST
Inp 1068.00 NIST
Inp 1091.00 NIST
Inp 1093.00 NIST
Inp 1095.00 NIST
Inp 1062.00 NIST
Inp 1067.00 NIST
Inp 1070.00 NIST
Inp 1070.00 NIST
Inp 1078.00 NIST
Inp 1064.00 NIST
Inp 1066.00 NIST
Inp 1066.00 NIST
Inp 1106.00 NIST
Inp 1065.00 NIST
Inp 1065.00 NIST
Inp 1090.00 NIST
Inp 1064.00 NIST
Inp 1072.00 NIST
Inp 1075.00 NIST
Inp 1072.00 NIST
Inp 1100.00 NIST
Inp 1103.00 NIST
Inp 1097.00 NIST
Inp 1097.00 NIST
Inp 1097.00 NIST
Inp 1074.00 NIST
Inp 1094.00 NIST
Inp 1095.00 NIST
Inp 1094.00 NIST
Inp 1088.00 NIST
Inp 1076.00 NIST
Inp 1072.00 NIST
Inp 1091.00 NIST
Inp 1105.00 NIST
Inp 1111.00 NIST
Inp 1103.00 NIST
Inp 1096.00 NIST
Inp 1091.00 NIST
Inp 1094.00 NIST
Inp 1092.00 NIST
Inp 1091.00 NIST
Inp 1092.00 NIST
Inp 1078.00 NIST
Inp 1091.00 NIST
Inp 1099.00 NIST
Inp 1091.00 NIST
Inp 1103.00 NIST
Inp 1086.00 NIST
Inp 1077.00 NIST
Inp 1093.00 NIST
Inp 1066.00 NIST
Inp 1078.00 NIST
Inp 1087.00 NIST
Inp Outlier 183.27 NIST
Inp 1103.00 NIST
Inp 1096.00 NIST
Inp 1071.00 NIST
Inp 1060.00 NIST
Inp 1100.00 NIST
Inp 1092.46 NIST
Inp 1062.00 NIST
Inp 1080.00 NIST
Inp 1074.00 NIST
I [1573.00; 1661.00]   Show Hide
I Outlier 1661.00 NIST
I 1643.00 NIST
I Outlier 1657.00 NIST
I 1589.00 NIST
I 1640.00 NIST
I 1608.00 NIST
I 1586.00 NIST
I 1600.00 NIST
I 1573.00 NIST
I 1574.00 NIST
I 1631.00 NIST
I 1596.00 NIST
I 1600.00 NIST
I 1605.00 NIST
I Outlier 1657.00 NIST
I 1614.00 NIST
I 1602.00 NIST
I 1614.00 NIST
I 1604.00 NIST
I 1607.00 NIST
I 1650.00 NIST
I 1602.00 NIST
I 1654.00 NIST
I 1634.00 NIST
I 1607.00 NIST
I 1632.00 NIST
I 1590.00 NIST
I 1600.00 NIST
I 1595.00 NIST
I 1598.00 NIST
I 1608.00 NIST
I 1612.00 NIST
I 1632.00 NIST
I 1627.00 NIST
I 1607.00 NIST
I 1631.00 NIST
I 1628.00 NIST
I 1602.00 NIST
I 1641.00 NIST
I 1624.00 NIST
I 1616.00 NIST
I 1641.00 NIST
I 1615.00 NIST
I 1617.00 NIST
I 1591.00 NIST
I 1603.00 NIST
I 1591.00 NIST
I 1615.00 NIST
I 1636.00 NIST
I 1613.00 NIST
I 1635.00 NIST
I 1611.00 NIST
I 1617.00 NIST
I 1575.00 NIST
I 1623.00 NIST
I 1632.00 NIST
I 1632.00 NIST
I 1595.00 NIST
I 1600.00 NIST
I 1605.00 NIST
I 1631.00 NIST
I 1582.00 NIST
I 1594.00 NIST
I 1611.00 NIST
I 1633.00 NIST
I 1628.00 NIST
I 1595.00 NIST
I 1580.00 NIST
I 1619.00 NIST
I 1638.00 NIST
I 1590.00 NIST
I 1600.00 NIST
I 1641.00 NIST
I 1614.00 NIST
I 1616.00 NIST
I 1600.00 NIST
I 1628.00 NIST
I 1590.00 NIST
I 1600.00 NIST
I 1589.00 NIST
I 1573.00 NIST
I Outlier 1661.00 NIST
I 1624.00 NIST
I 1591.00 NIST
I 1613.00 NIST
I 1623.00 NIST
I 1605.00 NIST
I 1633.00 NIST
Tboil 472.20 K KDB
Tc 692.00 K KDB
Tfus [260.40; 260.94] K Show Hide
Tfus 260.80 K KDB
Tfus Outlier 260.40 K Aq. Sol...
Tfus 260.80 K NIST
Tfus 260.70 ± 0.20 K NIST
Tfus 260.80 ± 0.02 K NIST
Tfus 260.94 ± 0.05 K NIST
Tfus 260.75 ± 0.30 K NIST
Vc 0.396 m3/kmol KDB
Zc 0.2505270 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [214.26; 273.64] J/mol×K [485.41; 705.10] Show Hide
Cp,gas 214.26 J/mol×K 485.41 Joback Calculated Property
Cp,gas 225.73 J/mol×K 522.02 Joback Calculated Property
Cp,gas 236.56 J/mol×K 558.64 Joback Calculated Property
Cp,gas 246.75 J/mol×K 595.25 Joback Calculated Property
Cp,gas 256.31 J/mol×K 631.87 Joback Calculated Property
Cp,gas 265.28 J/mol×K 668.48 Joback Calculated Property
Cp,gas 273.64 J/mol×K 705.10 Joback Calculated Property
Cp,liquid [216.50; 221.30] J/mol×K [297.00; 298.15] Show Hide
Cp,liquid 216.50 J/mol×K 297.00 NIST
Cp,liquid 221.30 J/mol×K 298.15 NIST
η [0.0012970; 0.0022970] Pa×s [288.15; 318.15] Show Hide
η 0.0022970 Pa×s 288.15 Densiti...
η 0.0019180 Pa×s 298.15 Density...
η 0.0018510 Pa×s 298.15 Densiti...
η 0.0017780 Pa×s 303.15 Density...
η 0.0016790 Pa×s 303.15 Thermop...
η 0.0016670 Pa×s 303.15 Density...
η 0.0015310 Pa×s 308.15 Densiti...
η 0.0015140 Pa×s 308.15 Density...
η 0.0016630 Pa×s 308.15 Density...
η 0.0014140 Pa×s 313.15 Thermop...
η 0.0014020 Pa×s 313.15 Density...
η 0.0013760 Pa×s 313.15 Density...
η 0.0012970 Pa×s 318.15 Densiti...
ΔfusH [13.90; 14.83] kJ/mol [162.50; 261.00] Show Hide
ΔfusH 14.80 kJ/mol 162.50 NIST
ΔfusH 14.83 kJ/mol 260.80 NIST
ΔfusH 13.90 kJ/mol 261.00 NIST
ΔfusH 13.90 kJ/mol 261.00 NIST
ΔvapH [43.00; 57.20] kJ/mol [303.00; 453.00] Show Hide
ΔvapH 57.20 ± 0.10 kJ/mol 303.00 NIST
ΔvapH 48.30 kJ/mol 381.00 NIST
ΔvapH 50.70 kJ/mol 381.00 NIST
ΔvapH 52.80 kJ/mol 387.00 NIST
ΔvapH 48.50 ± 0.20 kJ/mol 437.50 NIST
ΔvapH 43.00 ± 0.40 kJ/mol 437.50 NIST
ΔvapH 51.10 ± 0.20 kJ/mol 437.50 NIST
ΔvapH 45.80 ± 0.20 kJ/mol 437.50 NIST
ΔvapH 49.70 kJ/mol 453.00 NIST
ρl [1077.00; 1086.00] kg/m3 [293.00; 303.15] Show Hide
ρl 1086.00 kg/m3 293.00 KDB
ρl 1083.92 kg/m3 298.15 Refract...
ρl 1077.00 kg/m3 303.15 Study o...
γ [0.03; 0.04] N/m [288.15; 358.15] Show Hide
γ 0.04 N/m 288.15 Densiti...
γ 0.04 N/m 298.15 Densiti...
γ 0.04 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 [370.00; 370.20] K [3.20; 3.20] Show Hide
Tboilr 370.20 K 3.20 NIST
Tboilr 370.00 ± 1.00 K 3.20 NIST

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
278.15 100.00 1101.5
278.15 1000.00 1102.1
278.15 5000.00 1104.4
278.15 10000.00 1107.2
278.15 15000.00 1109.9
278.15 20000.00 1112.6
278.15 25000.00 1115.2
278.15 30000.00 1117.7
278.15 35000.00 1120.2
278.15 40000.00 1122.7
278.15 45000.00 1125.1
278.15 50000.00 1127.4
278.15 55000.00 1129.7
278.15 60000.00 1131.8
288.15 100.00 1092.1
288.15 1000.00 1092.6
288.15 5000.00 1095.0
288.15 10000.00 1097.9
288.15 15000.00 1100.8
288.15 20000.00 1103.6
288.15 25000.00 1106.3
288.15 30000.00 1109.0
288.15 35000.00 1111.6
288.15 40000.00 1114.1
288.15 45000.00 1116.6
288.15 50000.00 1119.1
288.15 55000.00 1121.4
288.15 60000.00 1123.6
298.15 100.00 1082.7
298.15 1000.00 1083.2
298.15 5000.00 1085.8
298.15 10000.00 1089.0
298.15 15000.00 1091.8
298.15 20000.00 1094.8
298.15 25000.00 1097.6
298.15 30000.00 1100.4
298.15 35000.00 1103.1
298.15 40000.00 1105.7
298.15 45000.00 1108.3
298.15 50000.00 1110.9
298.15 55000.00 1113.4
298.15 60000.00 1115.6
308.15 100.00 1073.0
308.15 1000.00 1073.6
308.15 5000.00 1076.2
308.15 10000.00 1079.5
308.15 15000.00 1082.6
308.15 20000.00 1085.7
308.15 25000.00 1088.6
308.15 30000.00 1091.5
308.15 35000.00 1094.3
308.15 40000.00 1097.1
308.15 45000.00 1099.8
308.15 50000.00 1102.4
308.15 55000.00 1105.0
308.15 60000.00 1107.4
318.15 100.00 1063.3
318.15 1000.00 1063.8
318.15 5000.00 1066.7
318.15 10000.00 1070.1
318.15 15000.00 1073.4
318.15 20000.00 1076.6
318.15 25000.00 1079.7
318.15 30000.00 1082.8
318.15 35000.00 1085.7
318.15 40000.00 1088.6
318.15 45000.00 1091.4
318.15 50000.00 1094.1
318.15 55000.00 1096.8
318.15 60000.00 1099.3
328.15 100.00 1053.6
328.15 1000.00 1054.3
328.15 5000.00 1057.2
328.15 10000.00 1060.8
328.15 15000.00 1064.3
328.15 20000.00 1067.6
328.15 25000.00 1070.9
328.15 30000.00 1074.0
328.15 35000.00 1077.1
328.15 40000.00 1080.1
328.15 45000.00 1083.0
328.15 50000.00 1085.9
328.15 55000.00 1088.7
328.15 60000.00 1091.2
338.15 100.00 1044.1
338.15 1000.00 1044.8
338.15 5000.00 1048.0
338.15 10000.00 1051.7
338.15 15000.00 1055.3
338.15 20000.00 1058.8
338.15 25000.00 1062.2
338.15 30000.00 1065.5
338.15 35000.00 1068.8
338.15 40000.00 1071.9
338.15 45000.00 1074.9
338.15 50000.00 1077.9
338.15 55000.00 1080.8
338.15 60000.00 1083.5
348.15 100.00 1034.4
348.15 1000.00 1035.1
348.15 5000.00 1038.4
348.15 10000.00 1042.4
348.15 15000.00 1046.2
348.15 20000.00 1049.8
348.15 25000.00 1053.4
348.15 30000.00 1056.9
348.15 35000.00 1060.3
348.15 40000.00 1063.5
348.15 45000.00 1066.7
348.15 50000.00 1069.8
348.15 55000.00 1072.8
348.15 60000.00 1075.5
358.15 100.00 1024.9
358.15 1000.00 1025.6
358.15 5000.00 1029.1
358.15 10000.00 1033.3
358.15 15000.00 1037.3
358.15 20000.00 1041.2
358.15 25000.00 1044.9
358.15 30000.00 1048.5
358.15 35000.00 1052.0
358.15 40000.00 1055.4
358.15 45000.00 1058.7
358.15 50000.00 1061.9
358.15 55000.00 1065.1
358.15 60000.00 1067.9
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [350.33; 502.55] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48415e+01
Coefficient B-4.20259e+03
Coefficient C-6.15670e+01
Temperature range, min.350.33
Temperature range, max.502.55
Pvap 1.33 kPa 350.33 Calculated Property
Pvap 2.98 kPa 367.24 Calculated Property
Pvap 6.13 kPa 384.16 Calculated Property
Pvap 11.74 kPa 401.07 Calculated Property
Pvap 21.12 kPa 417.98 Calculated Property
Pvap 36.04 kPa 434.90 Calculated Property
Pvap 58.70 kPa 451.81 Calculated Property
Pvap 91.81 kPa 468.72 Calculated Property
Pvap 138.57 kPa 485.64 Calculated Property
Pvap 202.65 kPa 502.55 Calculated Property
Pvap [1.84e-03; 3484.87] kPa [260.75; 693.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.04360e+02
Coefficient B-1.02686e+04
Coefficient C-1.28853e+01
Coefficient D6.03145e-06
Temperature range, min.260.75
Temperature range, max.693.00
Pvap 1.84e-03 kPa 260.75 Calculated Property
Pvap 0.11 kPa 308.78 Calculated Property
Pvap 1.86 kPa 356.81 Calculated Property
Pvap 13.83 kPa 404.83 Calculated Property
Pvap 61.63 kPa 452.86 Calculated Property
Pvap 194.96 kPa 500.89 Calculated Property
Pvap 488.25 kPa 548.92 Calculated Property
Pvap 1040.10 kPa 596.94 Calculated Property
Pvap 1979.63 kPa 644.97 Calculated Property
Pvap 3484.87 kPa 693.00 Calculated Property

Similar Compounds

1,4-Benzenedicarboxylic acid, dimethyl ester. 1,3-Benzenedicarboxylic acid, dimethyl ester. 2-Propyn-1-ol, benzoate. 2-Naphthalenecarboxylic acid, methyl ester. Benzoic acid, 4-cyano-, methyl ester. Benzoic acid, 4-iodo-, methyl ester. 4-Methoxycarbonylbenzoic acid. 2,6-Naphthalenedicarboxylic acid, dimethyl ester. Benzoic acid, ethyl ester. Benzoic acid, anhydride. 1,3-Benzenedicarboxylic acid, monomethyl ester. Ethanol, 2,2,2-trichloro-, benzoate. 3-CN-C6H4-COOCH3. benzoate anion. Benzoic acid, 4-bromo-, methyl ester.

Find more compounds similar to Benzoic acid, methyl ester.

Mixtures

Sources

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.