- InChI
- InChI=1S/C14H18/c1-4-6-7-8-14-10-9-12(3)11-13(14)5-2/h4,6-11H,5H2,1-3H3/b6-4+,8-7+
- InChI Key
- WEPOOWKOIONONL-GFGVWQOPSA-N
- Formula
- C14H18
- SMILES
- CC=CC=Cc1ccc(C)cc1CC
- Molecular Weight1
- 186.29
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.4237 | Relay (1.0) Calculated Property | |
| ΔfusH° | 25.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.98 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.147 | Crippen Calculated Property | |
| McVol | 175.760 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| I | 2096.00 | NIST | |
| Tboil | 528.54 | K | Relay (1.0) Calculated Property |
| Tc | 724.76 | K | Relay (1.0) Calculated Property |
| Tfus | 324.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.31; 555.83] | 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 | -4.35090e+01 | |||
| Coefficient B | 1.17596e+00 | |||
| Coefficient C | -8.02520e-04 | |||
| Coefficient D | 2.25900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 282.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 380.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 420.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 454.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 511.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 534.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 555.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016065; 0.0001372] | Pa×s | [288.84; 545.04] |
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 | -1.16687e+01 | |||
| Coefficient B | 1.51206e+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. | 288.84 | |||
| Temperature range, max. | 545.04 | |||
| η | 0.0016065 | Pa×s | 288.84 | Calculated Property |
| η | 0.0010044 | Pa×s | 317.31 | Calculated Property |
| η | 0.0006785 | Pa×s | 345.77 | Calculated Property |
| η | 0.0004865 | Pa×s | 374.24 | Calculated Property |
| η | 0.0003656 | Pa×s | 402.71 | Calculated Property |
| η | 0.0002853 | Pa×s | 431.17 | Calculated Property |
| η | 0.0002296 | Pa×s | 459.64 | Calculated Property |
| η | 0.0001896 | Pa×s | 488.11 | Calculated Property |
| η | 0.0001598 | Pa×s | 516.57 | Calculated Property |
| η | 0.0001372 | Pa×s | 545.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-ethyl-4-methyl-1,3-pentadienyl benzene.
Sources
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