- InChI
- InChI=1S/C11H16/c1-5-11-7-8(2)6-9(3)10(11)4/h6-7H,5H2,1-4H3
- InChI Key
- GGYNNCOYZVGAPR-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCc1cc(C)cc(C)c1C
- Molecular Weight1
- 148.24
- CAS
- 18262-85-6
- Other Names
-
- Benzene, 3-ethyl-1,2,5-trimethyl
- Benzene, 1,2,5-trimethyl-3-ethyl
- Benzene, 1-ethyl-2,3,5-trimethyl
- 3-Ethyl-1,2,4-trimethylbenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4243 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.174 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [1178.00; 1185.50] |
|
|
| Inp | 1184.30 | NIST | |
| Inp | 1184.40 | NIST | |
| Inp | 1185.50 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | Outlier 1178.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1184.30 | NIST | |
| Inp | 1185.00 | NIST | |
| I | [1401.00; 1401.10] |
|
|
| I | 1401.10 | NIST | |
| I | 1401.00 | NIST | |
| I | 1401.00 | NIST | |
| Tboil | 482.46 | K | Relay (1.0) Calculated Property |
| Tc | 685.80 | K | Relay (1.0) Calculated Property |
| Tfus | 239.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 61.30 | kJ/mol | 417.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.23; 459.18] | 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 | 1.88100e+00 | |||
| Coefficient B | 7.91480e-01 | |||
| Coefficient C | -4.04680e-04 | |||
| Coefficient D | 7.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 189.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 399.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 422.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 442.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013334; 0.0001979] | Pa×s | [277.71; 489.05] |
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 | -1.10341e+01 | |||
| Coefficient B | 1.22584e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 277.71 | |||
| Temperature range, max. | 489.05 | |||
| η | 0.0013334 | Pa×s | 277.71 | Calculated Property |
| η | 0.0009452 | Pa×s | 301.19 | Calculated Property |
| η | 0.0007042 | Pa×s | 324.67 | Calculated Property |
| η | 0.0005459 | Pa×s | 348.16 | Calculated Property |
| η | 0.0004370 | Pa×s | 371.64 | Calculated Property |
| η | 0.0003592 | Pa×s | 395.12 | Calculated Property |
| η | 0.0003018 | Pa×s | 418.60 | Calculated Property |
| η | 0.0002583 | Pa×s | 442.08 | Calculated Property |
| η | 0.0002246 | Pa×s | 465.56 | Calculated Property |
| η | 0.0001979 | Pa×s | 489.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,5-Trimethyl-3-ethylbenzene.
Sources
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