- 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).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.2937; 0.3197] |
|
|
| ω | 0.3197 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.2937 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.2941 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.2940 | KDB | |
| ΔcH°liquid | -5210.17 ± 0.96 | kJ/mol | NIST |
| μ | 0.56 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | [131.06; 131.20] | kJ/mol |
|
| ΔfG° | 131.06 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| 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 | ChemSep v8.3 pure component data Compiled value |
| 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 | [3039.90; 3140.00] | kPa |
|
| Pc | 3140.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3039.90 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 3040.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 3040.00 | kPa | KDB |
| Ptriple | 3.77e-06 | kPa | ChemSep v8.3 pure component data Compiled value |
| 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 | |
| Ip | [1222.00; 1307.00] |
|
|
| Ip | 1230.00 | NIST | |
| Ip | 1230.00 | NIST | |
| Ip | 1258.40 | NIST | |
| Ip | 1254.40 | NIST | |
| Ip | 1235.70 | NIST | |
| Ip | 1255.00 | NIST | |
| Ip | 1272.00 | NIST | |
| Ip | 1286.70 | NIST | |
| Ip | 1254.00 | NIST | |
| Ip | 1272.00 | NIST | |
| Ip | 1265.00 | NIST | |
| Ip | 1222.00 | NIST | |
| Ip | 1258.00 | NIST | |
| Ip | 1265.00 | NIST | |
| Ip | 1266.00 | NIST | |
| Ip | 1248.00 | NIST | |
| Ip | 1249.00 | NIST | |
| Ip | 1268.00 | NIST | |
| Ip | 1270.00 | NIST | |
| Ip | 1270.00 | NIST | |
| Ip | 1272.00 | NIST | |
| Ip | 1285.00 | NIST | |
| Ip | Outlier 1300.00 | NIST | |
| Ip | Outlier 1307.00 | NIST | |
| Ip | 1259.00 | NIST | |
| Ip | 1236.00 | NIST | |
| Ip | 1229.00 | NIST | |
| Ip | 1231.00 | NIST | |
| Ip | Outlier 1307.00 | NIST | |
| Ip | 1271.00 | NIST | |
| Ip | 1257.00 | NIST | |
| Ip | 1234.00 | NIST | |
| Ip | 1268.00 | NIST | |
| Ip | 1246.00 | NIST | |
| Ip | 1258.00 | NIST | |
| Ip | 1235.00 | NIST | |
| Ip | 1258.00 | NIST | |
| Ip | 1242.50 | NIST | |
| Ip | 1234.00 | NIST | |
| Ip | 1258.00 | NIST | |
| Ip | 1255.00 | NIST | |
| Ip | 1265.00 | NIST | |
| Ip | 1248.00 | NIST | |
| Tboil | [435.00; 438.40] | K |
|
| Tboil | 438.33 | K | ChemSep v8.3 pure component data Compiled value |
| 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 | [650.93; 651.50] | K |
|
| Tc | 651.50 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 650.93 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 651.15 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 651.00 | K | KDB |
| Tfus | [183.79; 213.55] | K |
|
| Tfus | 192.35 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 192.35 | K | ChemSep v8.3 pure component data Compiled value |
| 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 |
| Ttriple | 192.35 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 4.08 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.33 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.440; 0.460] | m3/kmol |
|
| Vc | 0.440 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.460 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.460 | m3/kmol | KDB |
| Zc | [0.2583530; 0.2600000] |
|
|
| Zc | 0.2600000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2583530 | KDB | |
| Zra | 0.25 | ChemSep v8.3 pure component data Compiled value |
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 | [96.05; 419.74] | J/mol×K | [150.00; 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 | 8.54320e+01 | |||
| Coefficient B | -5.69610e+02 | |||
| Coefficient C | 6.14624e+00 | |||
| Coefficient D | 9.59450e-05 | |||
| Coefficient E | -4.37170e-08 | |||
| Temperature range, min. | 150.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 96.05 | J/mol×K | 150.00 | Calculated Property |
| Cp,gas | 157.13 | J/mol×K | 300.00 | Calculated Property |
| Cp,gas | 221.72 | J/mol×K | 450.00 | Calculated Property |
| Cp,gas | 273.86 | J/mol×K | 600.00 | Calculated Property |
| Cp,gas | 314.53 | J/mol×K | 750.00 | Calculated Property |
| Cp,gas | 346.37 | J/mol×K | 900.00 | Calculated Property |
| Cp,gas | 371.52 | J/mol×K | 1050.00 | Calculated Property |
| Cp,gas | 391.48 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | 407.31 | J/mol×K | 1350.00 | Calculated Property |
| Cp,gas | 419.74 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [152.18; 272.94] | J/mol×K | [192.35; 438.33] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | -1.02370e+02 | |||
| Coefficient B | -2.64190e+01 | |||
| Coefficient C | 5.25424e+00 | |||
| Coefficient D | 2.60590e-03 | |||
| Coefficient E | -2.12600e-06 | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 438.33 | |||
| Cp,liquid | 152.18 | J/mol×K | 192.35 | Calculated Property |
| Cp,liquid | 169.10 | J/mol×K | 219.68 | Calculated Property |
| Cp,liquid | 185.14 | J/mol×K | 247.01 | Calculated Property |
| Cp,liquid | 200.36 | J/mol×K | 274.34 | Calculated Property |
| Cp,liquid | 214.76 | J/mol×K | 301.67 | Calculated Property |
| Cp,liquid | 228.32 | J/mol×K | 329.01 | Calculated Property |
| Cp,liquid | 240.97 | J/mol×K | 356.34 | Calculated Property |
| Cp,liquid | 252.67 | J/mol×K | 383.67 | Calculated Property |
| Cp,liquid | 263.35 | J/mol×K | 411.00 | Calculated Property |
| Cp,liquid | 272.94 | J/mol×K | 438.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0120977; 0.0000702] | Pa×s | [192.35; 651.00] |
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 | -1.03030e+01 | |||
| Coefficient B | 1.37810e+03 | |||
| Coefficient C | -2.46290e-01 | |||
| Coefficient D | 5.14360e-07 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 651.00 | |||
| η | 0.0120977 | Pa×s | 192.35 | Calculated Property |
| η | 0.0025752 | Pa×s | 243.31 | Calculated Property |
| η | 0.0009346 | Pa×s | 294.27 | Calculated Property |
| η | 0.0004577 | Pa×s | 345.23 | Calculated Property |
| η | 0.0002700 | Pa×s | 396.19 | Calculated Property |
| η | 0.0001802 | Pa×s | 447.16 | Calculated Property |
| η | 0.0001312 | Pa×s | 498.12 | Calculated Property |
| η | 0.0001019 | Pa×s | 549.08 | Calculated Property |
| η | 0.0000830 | Pa×s | 600.04 | Calculated Property |
| η | 0.0000702 | Pa×s | 651.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [54.67; 3.95] | kJ/mol | [192.35; 650.00] |
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 | 8.22727e+01 | |||
| Coefficient B | 1.96805e+00 | |||
| Coefficient C | -3.53592e+00 | |||
| Coefficient D | 3.10732e+00 | |||
| Coefficient E | -1.06144e+00 | |||
| Critical temperature, Tc (K) | 6.51150e+02 | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 650.00 | |||
| ΔvapH | 54.67 | kJ/mol | 192.35 | Calculated Property |
| ΔvapH | 50.93 | kJ/mol | 243.20 | Calculated Property |
| ΔvapH | 47.71 | kJ/mol | 294.05 | Calculated Property |
| ΔvapH | 44.68 | kJ/mol | 344.90 | Calculated Property |
| ΔvapH | 41.60 | kJ/mol | 395.75 | Calculated Property |
| ΔvapH | 38.22 | kJ/mol | 446.60 | Calculated Property |
| ΔvapH | 34.25 | kJ/mol | 497.45 | Calculated Property |
| ΔvapH | 29.26 | kJ/mol | 548.30 | Calculated Property |
| ΔvapH | 22.19 | kJ/mol | 599.15 | Calculated Property |
| ΔvapH | 3.95 | kJ/mol | 650.00 | 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 | [3.40e-06; 3040.00] | kPa | [192.35; 640.62] |
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 | 8.92893e+01 | |||
| Coefficient B | -8.65026e+03 | |||
| Coefficient C | -1.08621e+01 | |||
| Coefficient D | 5.91824e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped where the equation exceeds Pc; ChemSep gives it to 650 K. | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 640.62 | |||
| Pvap | 3.40e-06 | kPa | 192.35 | Calculated Property |
| Pvap | 3.30e-03 | kPa | 242.16 | Calculated Property |
| Pvap | 0.22 | kPa | 291.97 | Calculated Property |
| Pvap | 3.67 | kPa | 341.77 | Calculated Property |
| Pvap | 25.98 | kPa | 391.58 | Calculated Property |
| Pvap | 109.42 | kPa | 441.39 | Calculated Property |
| Pvap | 328.97 | kPa | 491.20 | Calculated Property |
| Pvap | 790.34 | kPa | 541.00 | Calculated Property |
| Pvap | 1631.78 | kPa | 590.81 | Calculated Property |
| Pvap | 3040.00 | kPa | 640.62 | 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 |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [956.66; 369.34] | kg/m3 | [192.35; 646.15] |
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 | 4.55863e+01 | |||
| Coefficient B | 2.05130e-01 | |||
| Coefficient C | 6.51150e+02 | |||
| Coefficient D | 2.33560e-01 | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 646.15 | |||
| ρl | 956.66 | kg/m3 | 192.35 | Calculated Property |
| ρl | 919.92 | kg/m3 | 242.77 | Calculated Property |
| ρl | 881.15 | kg/m3 | 293.19 | Calculated Property |
| ρl | 839.86 | kg/m3 | 343.62 | Calculated Property |
| ρl | 795.35 | kg/m3 | 394.04 | Calculated Property |
| ρl | 746.50 | kg/m3 | 444.46 | Calculated Property |
| ρl | 691.45 | kg/m3 | 494.88 | Calculated Property |
| ρl | 626.45 | kg/m3 | 545.31 | Calculated Property |
| ρl | 541.70 | kg/m3 | 595.73 | Calculated Property |
| ρl | 369.34 | kg/m3 | 646.15 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.01] | N/m | [192.15; 438.15] |
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 | 6.12839e-02 | |||
| Coefficient B | -1.06000e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 192.15 | |||
| Temperature range, max. | 438.15 | |||
| γ | 0.04 | N/m | 192.15 | Calculated Property |
| γ | 0.04 | N/m | 219.48 | Calculated Property |
| γ | 0.04 | N/m | 246.82 | Calculated Property |
| γ | 0.03 | N/m | 274.15 | Calculated Property |
| γ | 0.03 | N/m | 301.48 | Calculated Property |
| γ | 0.03 | N/m | 328.82 | Calculated Property |
| γ | 0.02 | N/m | 356.15 | Calculated Property |
| γ | 0.02 | N/m | 383.48 | Calculated Property |
| γ | 0.02 | N/m | 410.82 | Calculated Property |
| γ | 0.01 | N/m | 438.15 | Calculated Property |
| γ | [0.04; 7.26e-06] | N/m | [192.35; 645.88] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -9.53250e-03 | |||
| Coefficient B | 4.24220e+01 | |||
| Coefficient C | -3.11280e+00 | |||
| Coefficient D | 4.59400e-04 | |||
| Coefficient E | -4.55910e-06 | |||
| Comment | Range stopped where the equation turns negative; ChemSep gives it to 650 K. | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 645.88 | |||
| γ | 0.04 | N/m | 192.35 | Calculated Property |
| γ | 0.04 | N/m | 242.74 | Calculated Property |
| γ | 0.03 | N/m | 293.13 | Calculated Property |
| γ | 0.02 | N/m | 343.53 | Calculated Property |
| γ | 0.02 | N/m | 393.92 | Calculated Property |
| γ | 0.01 | N/m | 444.31 | Calculated Property |
| γ | 0.01 | N/m | 494.70 | Calculated Property |
| γ | 0.01 | N/m | 545.10 | Calculated Property |
| γ | 0.00 | N/m | 595.49 | Calculated Property |
| γ | 7.26e-06 | N/m | 645.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.08] | W/m×K | [192.35; 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 | 9.28420e-05 | |||
| Coefficient B | 1.04220e+00 | |||
| Coefficient C | 5.44160e+02 | |||
| Coefficient D | 6.30990e+04 | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 192.35 | Calculated Property |
| λgas | 0.01 | W/m×K | 282.09 | Calculated Property |
| λgas | 0.02 | W/m×K | 371.83 | Calculated Property |
| λgas | 0.02 | W/m×K | 461.57 | Calculated Property |
| λgas | 0.03 | W/m×K | 551.31 | Calculated Property |
| λgas | 0.04 | W/m×K | 641.04 | Calculated Property |
| λgas | 0.05 | W/m×K | 730.78 | Calculated Property |
| λgas | 0.06 | W/m×K | 820.52 | Calculated Property |
| λgas | 0.07 | W/m×K | 910.26 | Calculated Property |
| λgas | 0.08 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.15; 0.10] | W/m×K | [192.35; 438.33] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | -5.92890e-02 | |||
| Coefficient B | 4.20710e+00 | |||
| Coefficient C | -1.47390e+00 | |||
| Coefficient D | -3.92360e-04 | |||
| Coefficient E | -1.06230e-06 | |||
| Temperature range, min. | 192.35 | |||
| Temperature range, max. | 438.33 | |||
| λliquid | 0.15 | W/m×K | 192.35 | Calculated Property |
| λliquid | 0.14 | W/m×K | 219.68 | Calculated Property |
| λliquid | 0.14 | W/m×K | 247.01 | Calculated Property |
| λliquid | 0.13 | W/m×K | 274.34 | Calculated Property |
| λliquid | 0.13 | W/m×K | 301.67 | Calculated Property |
| λliquid | 0.12 | W/m×K | 329.01 | Calculated Property |
| λliquid | 0.12 | W/m×K | 356.34 | Calculated Property |
| λliquid | 0.11 | W/m×K | 383.67 | Calculated Property |
| λliquid | 0.11 | W/m×K | 411.00 | Calculated Property |
| λliquid | 0.10 | W/m×K | 438.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-2-methyl-.
Mixtures
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).
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- 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
- 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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