- InChI
- InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
- InChI Key
- JRLPEMVDPFPYPJ-UHFFFAOYSA-N
- Formula
- C9H12
- SMILES
- CCc1ccc(C)cc1
- Molecular Weight1
- 120.19
- CAS
- 622-96-8
- Other Names
-
- 1,4-Methylethylbenzene
- 1-ethyl-4-methylbenzene
- 1-methyl-4-ethylbenzene
- 4-Ethyltoluene
- 4-Methylethylbenzene
- 4-ethylmethylbenzene
- NSC 74177
- Toluene, p-ethyl-
- benzene, 1-methyl-4-ethyl-
- p-ethylmethylbenzene
- p-ethyltoluene
- p-methylethylbenzene
- para-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).
- 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 | [0.3219; 0.3731] |
|
|
| ω | 0.3731 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3219 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.3640 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.3220 | KDB | |
| ΔcH°liquid | -5206.80 ± 1.30 | kJ/mol | NIST |
| μ | 0.00 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | [126.80; 126.80] | kJ/mol |
|
| ΔfG° | 126.80 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 126.80 | kJ/mol | KDB |
| Δc,grossH | 5206.78 | kJ/mol | KDB |
| Δc,netH | 4942.685 | kJ/mol | KDB |
| ΔfH°gas | [-3.30; -2.05] | kJ/mol |
|
| ΔfH°gas | -3.26 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -2.05 | kJ/mol | KDB |
| ΔfH°gas | -3.30 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | -49.90 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [46.50; 46.60] | kJ/mol |
|
| ΔvapH° | 46.50 | kJ/mol | NIST |
| ΔvapH° | 46.60 | kJ/mol | NIST |
| ΔvapH° | 46.60 | kJ/mol | NIST |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.11; -3.11] |
|
|
| log10WS | -3.11 | Aq. Solubility Prediction | |
| log10WS | -3.11 | Estimated Solubility | |
| logPoct/wat | 2.557 | Crippen Calculated Property | |
| McVol | 113.910 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| Pc | [2938.55; 3233.00] | kPa |
|
| Pc | 3230.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value |
| Pc | 3230.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | Outlier 2938.55 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 3230.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 3230.00 | kPa | KDB |
| Pc | 3230.00 ± 100.00 | kPa | NIST |
| Pc | 3233.00 ± 8.00 | kPa | NIST |
| Pc | 3173.00 ± 100.00 | kPa | NIST |
| Ptriple | 7.82e-05 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [147.30; 977.00] |
|
|
| Inp | 941.60 | NIST | |
| Inp | 946.50 | NIST | |
| Inp | 947.33 | NIST | |
| Inp | 958.60 | NIST | |
| Inp | 957.10 | NIST | |
| Inp | 956.80 | NIST | |
| Inp | 957.80 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 947.10 | NIST | |
| Inp | 947.50 | NIST | |
| Inp | 950.60 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 948.20 | NIST | |
| Inp | 950.40 | NIST | |
| Inp | 958.20 | NIST | |
| Inp | 963.20 | NIST | |
| Inp | 970.10 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 947.80 | NIST | |
| Inp | 948.20 | NIST | |
| Inp | 948.40 | NIST | |
| Inp | 948.20 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 948.20 | NIST | |
| Inp | 950.40 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 948.80 | NIST | |
| Inp | 948.80 | NIST | |
| Inp | 945.26 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 947.60 | NIST | |
| Inp | 948.20 | NIST | |
| Inp | 951.30 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 955.60 | NIST | |
| Inp | 955.10 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 965.30 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 956.10 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 954.20 | NIST | |
| Inp | 956.30 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 962.40 | NIST | |
| Inp | 969.70 | NIST | |
| Inp | 948.90 | NIST | |
| Inp | 945.10 | NIST | |
| Inp | 952.20 | NIST | |
| Inp | 956.30 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 962.40 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 948.48 | NIST | |
| Inp | 948.90 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 950.80 | NIST | |
| Inp | 946.30 | NIST | |
| Inp | 945.10 | NIST | |
| Inp | 972.97 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 950.22 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 968.50 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 942.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 951.50 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | Outlier 165.60 | NIST | |
| Inp | Outlier 148.90 | NIST | |
| Inp | Outlier 147.30 | NIST | |
| Inp | Outlier 148.30 | NIST | |
| Inp | 965.30 | NIST | |
| Inp | 956.10 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 941.60 | NIST | |
| Inp | 956.80 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 950.40 | NIST | |
| Inp | 947.80 | NIST | |
| Inp | 948.20 | NIST | |
| Inp | 945.26 | NIST | |
| Inp | 952.00 | NIST | |
| Ip | [1181.00; 1269.00] |
|
|
| Ip | 1200.00 | NIST | |
| Ip | 1202.00 | NIST | |
| Ip | 1223.40 | NIST | |
| Ip | 1219.10 | NIST | |
| Ip | 1200.80 | NIST | |
| Ip | 1216.00 | NIST | |
| Ip | 1233.00 | NIST | |
| Ip | 1245.70 | NIST | |
| Ip | 1216.00 | NIST | |
| Ip | 1216.00 | NIST | |
| Ip | 1216.00 | NIST | |
| Ip | Outlier 1181.00 | NIST | |
| Ip | 1226.00 | NIST | |
| Ip | 1227.00 | NIST | |
| Ip | 1226.00 | NIST | |
| Ip | 1227.00 | NIST | |
| Ip | 1235.00 | NIST | |
| Ip | 1236.00 | NIST | |
| Ip | 1248.00 | NIST | |
| Ip | 1261.00 | NIST | |
| Ip | Outlier 1269.00 | NIST | |
| Ip | 1225.00 | NIST | |
| Ip | 1201.00 | NIST | |
| Ip | 1231.00 | NIST | |
| Ip | 1261.00 | NIST | |
| Ip | 1242.00 | NIST | |
| Ip | 1233.00 | NIST | |
| Ip | 1201.00 | NIST | |
| Ip | 1223.00 | NIST | |
| Ip | 1250.00 | NIST | |
| Ip | 1208.50 | NIST | |
| Ip | 1200.00 | NIST | |
| Tboil | [431.00; 436.00] | K |
|
| Tboil | 435.13 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 435.20 | K | KDB |
| Tboil | 435.20 | K | NIST |
| Tboil | 435.15 ± 1.50 | K | NIST |
| Tboil | 435.00 ± 3.00 | K | NIST |
| Tboil | 436.00 ± 4.00 | K | NIST |
| Tboil | 435.00 ± 2.00 | K | NIST |
| Tboil | 435.15 ± 0.20 | K | NIST |
| Tboil | 434.70 ± 2.00 | K | NIST |
| Tboil | 435.10 ± 1.00 | K | NIST |
| Tboil | 435.13 ± 0.03 | K | NIST |
| Tboil | 435.13 ± 0.10 | K | NIST |
| Tboil | 435.09 ± 0.50 | K | NIST |
| Tboil | 435.10 ± 0.15 | K | NIST |
| Tboil | 435.13 ± 0.15 | K | NIST |
| Tboil | 435.21 ± 0.20 | K | NIST |
| Tboil | 435.21 ± 0.30 | K | NIST |
| Tboil | 435.20 ± 0.15 | K | NIST |
| Tboil | 434.00 ± 4.00 | K | NIST |
| Tboil | 435.21 ± 0.20 | K | NIST |
| Tboil | 435.25 ± 0.30 | K | NIST |
| Tboil | 435.09 ± 0.20 | K | NIST |
| Tboil | 435.65 ± 0.30 | K | NIST |
| Tboil | 435.00 ± 4.00 | K | NIST |
| Tboil | 436.00 ± 3.00 | K | NIST |
| Tboil | Outlier 431.00 ± 5.00 | K | NIST |
| Tboil | Outlier 431.15 ± 2.00 | K | NIST |
| Tboil | 434.00 ± 4.00 | K | NIST |
| Tboil | 435.00 ± 2.00 | K | NIST |
| Tboil | 435.00 ± 1.60 | K | NIST |
| Tc | [638.70; 640.37] | K |
|
| Tc | 640.20 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value |
| Tc | Outlier 638.70 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 640.37 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 640.20 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 640.20 | K | KDB |
| Tc | 640.20 ± 1.00 | K | NIST |
| Tc | 640.23 ± 0.20 | K | NIST |
| Tc | 640.20 ± 1.00 | K | NIST |
| Tfus | [208.99; 217.00] | K |
|
| Tfus | 211.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 210.83 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 210.80 | K | KDB |
| Tfus | 211.05 | K | Aq. Solubility Prediction |
| Tfus | 210.79 ± 0.10 | K | NIST |
| Tfus | 209.08 ± 0.20 | K | NIST |
| Tfus | 209.91 ± 0.50 | K | NIST |
| Tfus | 209.91 ± 0.60 | K | NIST |
| Tfus | 208.99 ± 1.00 | K | NIST |
| Tfus | 209.14 ± 0.20 | K | NIST |
| Tfus | 210.55 ± 0.40 | K | NIST |
| Tfus | 210.78 ± 0.20 | K | NIST |
| Tfus | 210.75 ± 0.03 | K | NIST |
| Tfus | 210.78 ± 0.02 | K | NIST |
| Tfus | 210.80 ± 0.01 | K | NIST |
| Tfus | 208.99 ± 0.20 | K | NIST |
| Tfus | Outlier 217.00 ± 4.00 | K | NIST |
| Ttriple | 210.83 | 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; 0.470] | m3/kmol |
|
| Vc | 0.440 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.440 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.470 | m3/kmol | KDB |
| Zc | [0.2590000; 0.2851990] |
|
|
| Zc | 0.2590000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2851990 | KDB | |
| Zra | 0.26 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 43.20 | kJ/mol | 395.50 | NIST |
| n0 | 1.49244 | 298.15 | KDB | |
| ρl | [861.00; 861.07] | kg/m3 | [293.00; 293.15] |
|
| ρl | 861.00 | kg/m3 | 293.00 | KDB |
| ρl | 861.07 | kg/m3 | 293.15 | Isobaric VLE data for 1-methyl-3-ethylbenzene or 1-methyl-4-ethylbenzene + 1,2,4-trimethylbenzene at 20 kPa |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.69; 419.11] | J/mol×K | [200.00; 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 | 7.56360e+01 | |||
| Coefficient B | -5.68130e+02 | |||
| Coefficient C | 6.19524e+00 | |||
| Coefficient D | 8.24410e-05 | |||
| Coefficient E | -4.49020e-08 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 104.69 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 172.07 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 233.66 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 282.57 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 320.76 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 350.71 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 374.35 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 393.03 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 407.72 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 419.11 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [162.44; 273.76] | J/mol×K | [210.83; 435.16] |
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 | 3.07480e+01 | |||
| Coefficient B | -8.55110e+01 | |||
| Coefficient C | 4.63124e+00 | |||
| Coefficient D | 3.73890e-03 | |||
| Coefficient E | -3.00290e-06 | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 435.16 | |||
| Cp,liquid | 162.44 | J/mol×K | 210.83 | Calculated Property |
| Cp,liquid | 176.67 | J/mol×K | 235.76 | Calculated Property |
| Cp,liquid | 190.53 | J/mol×K | 260.68 | Calculated Property |
| Cp,liquid | 204.00 | J/mol×K | 285.61 | Calculated Property |
| Cp,liquid | 217.05 | J/mol×K | 310.53 | Calculated Property |
| Cp,liquid | 229.62 | J/mol×K | 335.46 | Calculated Property |
| Cp,liquid | 241.65 | J/mol×K | 360.38 | Calculated Property |
| Cp,liquid | 253.07 | J/mol×K | 385.31 | Calculated Property |
| Cp,liquid | 263.80 | J/mol×K | 410.23 | Calculated Property |
| Cp,liquid | 273.76 | J/mol×K | 435.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027113; 0.0002335] | Pa×s | [220.00; 435.16] |
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 | -2.39730e+01 | |||
| Coefficient B | 1.68120e+03 | |||
| Coefficient C | 1.93150e+00 | |||
| Coefficient D | 6.32800e-08 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 220.00 | |||
| Temperature range, max. | 435.16 | |||
| η | 0.0027113 | Pa×s | 220.00 | Calculated Property |
| η | 0.0015657 | Pa×s | 243.91 | Calculated Property |
| η | 0.0010146 | Pa×s | 267.81 | Calculated Property |
| η | 0.0007161 | Pa×s | 291.72 | Calculated Property |
| η | 0.0005393 | Pa×s | 315.63 | Calculated Property |
| η | 0.0004272 | Pa×s | 339.53 | Calculated Property |
| η | 0.0003521 | Pa×s | 363.44 | Calculated Property |
| η | 0.0002997 | Pa×s | 387.35 | Calculated Property |
| η | 0.0002617 | Pa×s | 411.25 | Calculated Property |
| η | 0.0002335 | Pa×s | 435.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [52.74; 16.75] | kJ/mol | [210.83; 617.60] |
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 | 7.16770e+01 | |||
| Coefficient B | 1.07080e+00 | |||
| Coefficient C | -1.10550e+00 | |||
| Coefficient D | 6.20440e-01 | |||
| Coefficient E | -1.63720e-01 | |||
| Critical temperature, Tc (K) | 6.40200e+02 | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 617.60 | |||
| ΔvapH | 52.74 | kJ/mol | 210.83 | Calculated Property |
| ΔvapH | 49.69 | kJ/mol | 256.03 | Calculated Property |
| ΔvapH | 46.78 | kJ/mol | 301.22 | Calculated Property |
| ΔvapH | 43.94 | kJ/mol | 346.42 | Calculated Property |
| ΔvapH | 41.05 | kJ/mol | 391.62 | Calculated Property |
| ΔvapH | 38.00 | kJ/mol | 436.81 | Calculated Property |
| ΔvapH | 34.63 | kJ/mol | 482.01 | Calculated Property |
| ΔvapH | 30.65 | kJ/mol | 527.21 | Calculated Property |
| ΔvapH | 25.44 | kJ/mol | 572.40 | Calculated Property |
| ΔvapH | 16.75 | kJ/mol | 617.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [317.24; 464.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42141e+01 | |||
| Coefficient B | -3.63868e+03 | |||
| Coefficient C | -5.59640e+01 | |||
| Temperature range, min. | 317.24 | |||
| Temperature range, max. | 464.68 | |||
| Pvap | 1.33 | kPa | 317.24 | Calculated Property |
| Pvap | 3.03 | kPa | 333.62 | Calculated Property |
| Pvap | 6.29 | kPa | 350.00 | Calculated Property |
| Pvap | 12.09 | kPa | 366.39 | Calculated Property |
| Pvap | 21.76 | kPa | 382.77 | Calculated Property |
| Pvap | 37.02 | kPa | 399.15 | Calculated Property |
| Pvap | 60.01 | kPa | 415.53 | Calculated Property |
| Pvap | 93.27 | kPa | 431.92 | Calculated Property |
| Pvap | 139.72 | kPa | 448.30 | Calculated Property |
| Pvap | 202.63 | kPa | 464.68 | Calculated Property |
| Pvap | [3.95e-04; 3000.02] | kPa | [210.83; 640.20] |
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 | 1.42861e+01 | |||
| Coefficient B | -5.10379e+03 | |||
| Coefficient C | 4.09026e-01 | |||
| Coefficient D | -2.31922e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 640.23 K. | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 640.20 | |||
| Pvap | 3.95e-04 | kPa | 210.83 | Calculated Property |
| Pvap | 0.04 | kPa | 258.54 | Calculated Property |
| Pvap | 0.77 | kPa | 306.25 | Calculated Property |
| Pvap | 7.22 | kPa | 353.95 | Calculated Property |
| Pvap | 38.77 | kPa | 401.66 | Calculated Property |
| Pvap | 142.35 | kPa | 449.37 | Calculated Property |
| Pvap | 397.40 | kPa | 497.08 | Calculated Property |
| Pvap | 903.53 | kPa | 544.78 | Calculated Property |
| Pvap | 1753.14 | kPa | 592.49 | Calculated Property |
| Pvap | 3000.02 | kPa | 640.20 | Calculated Property |
| Pvap | [9.31e-05; 3092.79] | kPa | [210.83; 640.15] |
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 | 8.21809e+01 | |||
| Coefficient B | -8.31456e+03 | |||
| Coefficient C | -9.76149e+00 | |||
| Coefficient D | 4.68582e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 640.15 | |||
| Pvap | 9.31e-05 | kPa | 210.83 | Calculated Property |
| Pvap | 0.02 | kPa | 258.53 | Calculated Property |
| Pvap | 0.66 | kPa | 306.23 | Calculated Property |
| Pvap | 7.28 | kPa | 353.94 | Calculated Property |
| Pvap | 40.84 | kPa | 401.64 | Calculated Property |
| Pvap | 148.72 | kPa | 449.34 | Calculated Property |
| Pvap | 405.28 | kPa | 497.04 | Calculated Property |
| Pvap | 904.81 | kPa | 544.75 | Calculated Property |
| Pvap | 1757.15 | kPa | 592.45 | Calculated Property |
| Pvap | 3092.79 | kPa | 640.15 | Calculated Property |
| Pvap | [6.40; 103.99] | kPa | [351.46; 436.16] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40985e+01 | |||
| Coefficient B | -3.51631e+03 | |||
| Coefficient C | -6.42290e+01 | |||
| Reference | Forziati, Norris, et al., 1949 | |||
| Temperature range, min. | 351.46 | |||
| Temperature range, max. | 436.16 | |||
| Pvap | 6.40 | kPa | 351.46 | Calculated Property |
| Pvap | 9.44 | kPa | 360.87 | Calculated Property |
| Pvap | 13.59 | kPa | 370.28 | Calculated Property |
| Pvap | 19.15 | kPa | 379.69 | Calculated Property |
| Pvap | 26.44 | kPa | 389.10 | Calculated Property |
| Pvap | 35.86 | kPa | 398.52 | Calculated Property |
| Pvap | 47.83 | kPa | 407.93 | Calculated Property |
| Pvap | 62.83 | kPa | 417.34 | Calculated Property |
| Pvap | 81.36 | kPa | 426.75 | Calculated Property |
| Pvap | 103.99 | kPa | 436.16 | Calculated Property |
| Pvap | [6.40; 103.99] | kPa | [351.46; 436.16] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40985e+01 | |||
| Coefficient B | -3.51631e+03 | |||
| Coefficient C | -6.42290e+01 | |||
| Reference | Forziati, Norris, et al., 1949, 2 | |||
| Temperature range, min. | 351.46 | |||
| Temperature range, max. | 436.16 | |||
| Pvap | 6.40 | kPa | 351.46 | Calculated Property |
| Pvap | 9.44 | kPa | 360.87 | Calculated Property |
| Pvap | 13.59 | kPa | 370.28 | Calculated Property |
| Pvap | 19.15 | kPa | 379.69 | Calculated Property |
| Pvap | 26.44 | kPa | 389.10 | Calculated Property |
| Pvap | 35.86 | kPa | 398.52 | Calculated Property |
| Pvap | 47.83 | kPa | 407.93 | Calculated Property |
| Pvap | 62.83 | kPa | 417.34 | Calculated Property |
| Pvap | 81.36 | kPa | 426.75 | Calculated Property |
| Pvap | 103.99 | kPa | 436.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [931.20; 450.61] | kg/m3 | [210.83; 617.60] |
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 | 7.23013e+01 | |||
| Coefficient B | 2.57040e-01 | |||
| Coefficient C | 6.40200e+02 | |||
| Coefficient D | 3.16640e-01 | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 617.60 | |||
| ρl | 931.20 | kg/m3 | 210.83 | Calculated Property |
| ρl | 893.42 | kg/m3 | 256.03 | Calculated Property |
| ρl | 854.18 | kg/m3 | 301.22 | Calculated Property |
| ρl | 813.17 | kg/m3 | 346.42 | Calculated Property |
| ρl | 769.89 | kg/m3 | 391.62 | Calculated Property |
| ρl | 723.61 | kg/m3 | 436.81 | Calculated Property |
| ρl | 673.16 | kg/m3 | 482.01 | Calculated Property |
| ρl | 616.34 | kg/m3 | 527.21 | Calculated Property |
| ρl | 548.20 | kg/m3 | 572.40 | Calculated Property |
| ρl | 450.61 | kg/m3 | 617.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.01] | N/m | [211.15; 435.15] |
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 | 6.03436e-02 | |||
| Coefficient B | -1.07500e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 211.15 | |||
| Temperature range, max. | 435.15 | |||
| γ | 0.04 | N/m | 211.15 | Calculated Property |
| γ | 0.03 | N/m | 236.04 | Calculated Property |
| γ | 0.03 | N/m | 260.93 | Calculated Property |
| γ | 0.03 | N/m | 285.82 | Calculated Property |
| γ | 0.03 | N/m | 310.71 | Calculated Property |
| γ | 0.02 | N/m | 335.59 | Calculated Property |
| γ | 0.02 | N/m | 360.48 | Calculated Property |
| γ | 0.02 | N/m | 385.37 | Calculated Property |
| γ | 0.02 | N/m | 410.26 | Calculated Property |
| γ | 0.01 | N/m | 435.15 | Calculated Property |
| γ | [0.04; 6.48e-04] | N/m | [210.83; 617.60] |
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 | -8.99030e-03 | |||
| Coefficient B | 3.15010e+01 | |||
| Coefficient C | -3.01520e+00 | |||
| Coefficient D | 8.03600e-05 | |||
| Coefficient E | -4.52890e-06 | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 617.60 | |||
| γ | 0.04 | N/m | 210.83 | Calculated Property |
| γ | 0.03 | N/m | 256.03 | Calculated Property |
| γ | 0.03 | N/m | 301.22 | Calculated Property |
| γ | 0.02 | N/m | 346.42 | Calculated Property |
| γ | 0.02 | N/m | 391.62 | Calculated Property |
| γ | 0.01 | N/m | 436.81 | Calculated Property |
| γ | 0.01 | N/m | 482.01 | Calculated Property |
| γ | 0.01 | N/m | 527.21 | Calculated Property |
| γ | 0.00 | N/m | 572.40 | Calculated Property |
| γ | 6.48e-04 | N/m | 617.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.01; 0.08] | W/m×K | [210.83; 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 | 9.57820e-05 | |||
| Coefficient B | 1.04710e+00 | |||
| Coefficient C | 6.60610e+02 | |||
| Coefficient D | 4.01320e+04 | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.01 | W/m×K | 210.83 | Calculated Property |
| λgas | 0.01 | W/m×K | 298.52 | Calculated Property |
| λgas | 0.02 | W/m×K | 386.20 | Calculated Property |
| λgas | 0.02 | W/m×K | 473.89 | Calculated Property |
| λgas | 0.03 | W/m×K | 561.57 | Calculated Property |
| λgas | 0.04 | W/m×K | 649.26 | Calculated Property |
| λgas | 0.05 | W/m×K | 736.94 | Calculated Property |
| λgas | 0.06 | W/m×K | 824.63 | Calculated Property |
| λgas | 0.07 | W/m×K | 912.31 | Calculated Property |
| λgas | 0.08 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.14; 0.10] | W/m×K | [210.83; 435.16] |
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 | -6.56550e-02 | |||
| Coefficient B | 1.21560e+00 | |||
| Coefficient C | -1.42850e+00 | |||
| Coefficient D | -4.77610e-04 | |||
| Coefficient E | -9.64170e-07 | |||
| Temperature range, min. | 210.83 | |||
| Temperature range, max. | 435.16 | |||
| λliquid | 0.14 | W/m×K | 210.83 | Calculated Property |
| λliquid | 0.14 | W/m×K | 235.76 | Calculated Property |
| λliquid | 0.13 | W/m×K | 260.68 | Calculated Property |
| λliquid | 0.13 | W/m×K | 285.61 | Calculated Property |
| λliquid | 0.12 | W/m×K | 310.53 | Calculated Property |
| λliquid | 0.12 | W/m×K | 335.46 | Calculated Property |
| λliquid | 0.11 | W/m×K | 360.38 | Calculated Property |
| λliquid | 0.11 | W/m×K | 385.31 | Calculated Property |
| λliquid | 0.10 | W/m×K | 410.23 | Calculated Property |
| λliquid | 0.10 | W/m×K | 435.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-4-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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons. J. Chem. Eng. Data 1995, 40, 547-558.
- 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 VLE data for 1-methyl-3-ethylbenzene or 1-methyl-4-ethylbenzene + 1,2,4-trimethylbenzene at 20 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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