- InChI
- InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
- InChI Key
- HYFLWBNQFMXCPA-UHFFFAOYSA-N
- Formula
- C9H12
- SMILES
- CCc1ccccc1C
- Molecular Weight1
- 120.19
- CAS
- 611-14-3
- Other Names
-
- 1,2-Methylethylbenzene
- 1-ethyl-2-methylbenzene
- 1-methyl-2-ethylbenzene
- 2-Ethylmethylbenzene
- 2-Ethyltoluene
- 2-Methyl-1-ethylbenzene
- 2-ethyl-3-methylbenzene
- NSC 405731
- Toluene, 2-ethyl-
- Toluene, o-ethyl-
- benzene, 1-methyl-2-ethyl-
- o-Ethylmethylbenzene
- o-Methylethylbenzene
- o-ethyltoluene
- ortho-Ethyltoluene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2940 | KDB | |
| ΔcH°liquid | -5210.17 ± 0.96 | kJ/mol | NIST |
| ΔfG° | 131.20 | kJ/mol | KDB |
| Δc,grossH | 5210.17 | kJ/mol | KDB |
| Δc,netH | 4946.074 | kJ/mol | KDB |
| ΔfH°gas | [1.20; 1.21] | kJ/mol |
|
| ΔfH°gas | 1.21 | kJ/mol | KDB |
| ΔfH°gas | 1.20 ± 1.20 | kJ/mol | NIST |
| ΔfH°liquid | -46.50 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [46.90; 47.70] | kJ/mol |
|
| ΔvapH° | 46.90 | kJ/mol | NIST |
| ΔvapH° | 47.70 | kJ/mol | NIST |
| ΔvapH° | 47.70 | kJ/mol | NIST |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.21; -3.21] |
|
|
| log10WS | -3.21 | Aq. Solubility Prediction | |
| log10WS | -3.21 | Estimated Solubility | |
| logPoct/wat | 2.557 | Crippen Calculated Property | |
| McVol | 113.910 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| Pc | 3040.00 | kPa | KDB |
| Inp | [150.40; 994.00] |
|
|
| Inp | 979.60 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 988.16 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 965.30 | NIST | |
| Inp | 961.54 | NIST | |
| Inp | 973.50 | NIST | |
| Inp | 974.60 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 973.20 | NIST | |
| Inp | 972.50 | NIST | |
| Inp | 973.60 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 961.10 | NIST | |
| Inp | 961.60 | NIST | |
| Inp | 964.60 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 961.10 | NIST | |
| Inp | 963.40 | NIST | |
| Inp | 974.20 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 986.70 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 960.50 | NIST | |
| Inp | 961.10 | NIST | |
| Inp | 961.10 | NIST | |
| Inp | 963.40 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 961.70 | NIST | |
| Inp | 958.25 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 963.20 | NIST | |
| Inp | 964.70 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 969.30 | NIST | |
| Inp | 968.80 | NIST | |
| Inp | 961.20 | NIST | |
| Inp | 979.60 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 970.20 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 969.80 | NIST | |
| Inp | 973.30 | NIST | |
| Inp | 977.20 | NIST | |
| Inp | 979.70 | NIST | |
| Inp | 987.90 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 974.50 | NIST | |
| Inp | 959.90 | NIST | |
| Inp | 966.40 | NIST | |
| Inp | 964.40 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 973.30 | NIST | |
| Inp | 977.20 | NIST | |
| Inp | 979.70 | NIST | |
| Inp | 963.29 | NIST | |
| Inp | 963.66 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 963.68 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 988.16 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 983.50 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 985.50 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 965.30 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | Outlier 150.40 | NIST | |
| Inp | Outlier 155.40 | NIST | |
| Inp | Outlier 151.39 | NIST | |
| Inp | Outlier 150.40 | NIST | |
| I | [1222.00; 1307.00] |
|
|
| I | 1230.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1258.40 | NIST | |
| I | 1254.40 | NIST | |
| I | 1235.70 | NIST | |
| I | 1255.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1286.70 | NIST | |
| I | 1254.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1222.00 | NIST | |
| I | 1258.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1266.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1249.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1285.00 | NIST | |
| I | Outlier 1300.00 | NIST | |
| I | Outlier 1307.00 | NIST | |
| I | 1259.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1229.00 | NIST | |
| I | 1231.00 | NIST | |
| I | Outlier 1307.00 | NIST | |
| I | 1271.00 | NIST | |
| I | 1257.00 | NIST | |
| I | 1234.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1258.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1258.00 | NIST | |
| I | 1242.50 | NIST | |
| I | 1234.00 | NIST | |
| I | 1258.00 | NIST | |
| I | 1255.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1248.00 | NIST | |
| Tboil | [435.00; 438.40] | K |
|
| Tboil | 438.30 | K | KDB |
| Tboil | 438.40 | K | NIST |
| Tboil | 438.32 ± 0.15 | K | NIST |
| Tboil | 438.26 ± 0.20 | K | NIST |
| Tboil | 438.31 ± 0.20 | K | NIST |
| Tboil | 438.00 ± 3.00 | K | NIST |
| Tboil | 437.60 ± 2.50 | K | NIST |
| Tboil | 438.00 ± 2.00 | K | NIST |
| Tboil | 438.29 ± 0.30 | K | NIST |
| Tboil | 438.40 ± 0.60 | K | NIST |
| Tboil | 438.30 ± 0.03 | K | NIST |
| Tboil | 437.20 ± 1.50 | K | NIST |
| Tboil | 438.00 ± 3.00 | K | NIST |
| Tboil | 438.30 ± 0.15 | K | NIST |
| Tboil | 438.29 ± 0.20 | K | NIST |
| Tboil | 438.29 ± 0.20 | K | NIST |
| Tboil | 438.29 ± 0.20 | K | NIST |
| Tboil | 438.38 ± 0.20 | K | NIST |
| Tboil | 438.40 ± 0.20 | K | NIST |
| Tboil | 438.31 ± 0.30 | K | NIST |
| Tboil | Outlier 436.00 ± 4.00 | K | NIST |
| Tboil | 438.22 ± 0.20 | K | NIST |
| Tboil | Outlier 435.70 ± 1.50 | K | NIST |
| Tboil | 438.10 ± 9.50 | K | NIST |
| Tboil | Outlier 435.00 ± 2.00 | K | NIST |
| Tc | 651.00 | K | KDB |
| Tfus | [183.79; 213.55] | K |
|
| Tfus | 192.30 | K | KDB |
| Tfus | Outlier 213.55 | K | Aq. Solubility Prediction |
| Tfus | 183.79 ± 0.40 | K | NIST |
| Tfus | 192.05 ± 0.40 | K | NIST |
| Tfus | 186.57 ± 0.30 | K | NIST |
| Tfus | 192.13 ± 0.50 | K | NIST |
| Tfus | 192.13 ± 0.10 | K | NIST |
| Tfus | 192.00 ± 0.40 | K | NIST |
| Tfus | 192.30 ± 0.20 | K | NIST |
| Tfus | 186.18 ± 0.40 | K | NIST |
| Tfus | 186.65 ± 0.20 | K | NIST |
| Tfus | 192.23 ± 0.04 | K | NIST |
| Tfus | 192.24 ± 0.03 | K | NIST |
| Tfus | 193.11 ± 0.02 | K | NIST |
| Tfus | 186.59 ± 0.03 | K | NIST |
| Tfus | 186.10 ± 0.50 | K | NIST |
| Vc | 0.460 | m3/kmol | KDB |
| Zc | 0.2583530 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 43.60 | kJ/mol | 398.00 | NIST |
| n0 | [1.50208; 1.50450] | [293.15; 298.15] |
|
|
| n0 | 1.50450 | 293.15 | Isobaric Vapor Liquid Equilibrium Data for the System of 1-Methyl-2-Ethylbenzene + 1,2,4-Trimethylbenzene at 10 kPa | |
| n0 | 1.50208 | 298.15 | KDB | |
| ρl | 881.00 | kg/m3 | 293.00 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 335.50 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.70; 362.08] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.48990e+01 | |||
| Coefficient B | 7.20440e-01 | |||
| Coefficient C | -4.29960e-04 | |||
| Coefficient D | 9.65000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 214.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 272.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 295.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 316.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 333.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 349.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 362.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0065649; 0.0001970] | Pa×s | [189.76; 455.70] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10339e+01 | |||
| Coefficient B | 1.14004e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 189.76 | |||
| Temperature range, max. | 455.70 | |||
| η | 0.0065649 | Pa×s | 189.76 | Calculated Property |
| η | 0.0029219 | Pa×s | 219.31 | Calculated Property |
| η | 0.0015762 | Pa×s | 248.86 | Calculated Property |
| η | 0.0009692 | Pa×s | 278.41 | Calculated Property |
| η | 0.0006543 | Pa×s | 307.95 | Calculated Property |
| η | 0.0004732 | Pa×s | 337.50 | Calculated Property |
| η | 0.0003605 | Pa×s | 367.05 | Calculated Property |
| η | 0.0002860 | Pa×s | 396.60 | Calculated Property |
| η | 0.0002344 | Pa×s | 426.15 | Calculated Property |
| η | 0.0001970 | Pa×s | 455.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [317.80; 468.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42140e+01 | |||
| Coefficient B | -3.71914e+03 | |||
| Coefficient C | -5.07440e+01 | |||
| Temperature range, min. | 317.80 | |||
| Temperature range, max. | 468.51 | |||
| Pvap | 1.33 | kPa | 317.80 | Calculated Property |
| Pvap | 3.03 | kPa | 334.55 | Calculated Property |
| Pvap | 6.29 | kPa | 351.29 | Calculated Property |
| Pvap | 12.09 | kPa | 368.04 | Calculated Property |
| Pvap | 21.76 | kPa | 384.78 | Calculated Property |
| Pvap | 37.03 | kPa | 401.53 | Calculated Property |
| Pvap | 60.02 | kPa | 418.27 | Calculated Property |
| Pvap | 93.28 | kPa | 435.02 | Calculated Property |
| Pvap | 139.74 | kPa | 451.76 | Calculated Property |
| Pvap | 202.66 | kPa | 468.51 | Calculated Property |
| Pvap | [5.73e-06; 3027.77] | kPa | [192.35; 651.15] |
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 | 6.26756e+01 | |||
| Coefficient B | -7.52536e+03 | |||
| Coefficient C | -6.78754e+00 | |||
| Coefficient D | 2.05615e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 651.15 | |||
| Pvap | 5.73e-06 | kPa | 192.35 | Calculated Property |
| Pvap | 4.41e-03 | kPa | 243.33 | Calculated Property |
| Pvap | 0.27 | kPa | 294.31 | Calculated Property |
| Pvap | 4.29 | kPa | 345.28 | Calculated Property |
| Pvap | 30.08 | kPa | 396.26 | Calculated Property |
| Pvap | 125.91 | kPa | 447.24 | Calculated Property |
| Pvap | 373.77 | kPa | 498.22 | Calculated Property |
| Pvap | 875.04 | kPa | 549.19 | Calculated Property |
| Pvap | 1730.43 | kPa | 600.17 | Calculated Property |
| Pvap | 3027.77 | kPa | 651.15 | Calculated Property |
| Pvap | [6.40; 104.11] | kPa | [354.30; 439.32] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41103e+01 | |||
| Coefficient B | -3.53533e+03 | |||
| Coefficient C | -6.58000e+01 | |||
| Reference | Forziati, Norris, et al., 1949 | |||
| Temperature range, min. | 354.30 | |||
| Temperature range, max. | 439.32 | |||
| Pvap | 6.40 | kPa | 354.30 | Calculated Property |
| Pvap | 9.44 | kPa | 363.75 | Calculated Property |
| Pvap | 13.59 | kPa | 373.19 | Calculated Property |
| Pvap | 19.15 | kPa | 382.64 | Calculated Property |
| Pvap | 26.45 | kPa | 392.09 | Calculated Property |
| Pvap | 35.88 | kPa | 401.53 | Calculated Property |
| Pvap | 47.86 | kPa | 410.98 | Calculated Property |
| Pvap | 62.88 | kPa | 420.43 | Calculated Property |
| Pvap | 81.44 | kPa | 429.87 | Calculated Property |
| Pvap | 104.11 | kPa | 439.32 | Calculated Property |
| Pvap | [6.40; 104.11] | kPa | [354.30; 439.32] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41103e+01 | |||
| Coefficient B | -3.53533e+03 | |||
| Coefficient C | -6.58000e+01 | |||
| Reference | Forziati, Norris, et al., 1949, 2 | |||
| Temperature range, min. | 354.30 | |||
| Temperature range, max. | 439.32 | |||
| Pvap | 6.40 | kPa | 354.30 | Calculated Property |
| Pvap | 9.44 | kPa | 363.75 | Calculated Property |
| Pvap | 13.59 | kPa | 373.19 | Calculated Property |
| Pvap | 19.15 | kPa | 382.64 | Calculated Property |
| Pvap | 26.45 | kPa | 392.09 | Calculated Property |
| Pvap | 35.88 | kPa | 401.53 | Calculated Property |
| Pvap | 47.86 | kPa | 410.98 | Calculated Property |
| Pvap | 62.88 | kPa | 420.43 | Calculated Property |
| Pvap | 81.44 | kPa | 429.87 | Calculated Property |
| Pvap | 104.11 | kPa | 439.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-2-methyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Isobaric Vapor Liquid Equilibrium Data for the System of 1-Methyl-2-Ethylbenzene + 1,2,4-Trimethylbenzene at 10 kPa
- Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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