- InChI
- InChI=1S/C9H14/c1-3-8-6-5-7-9(8)4-2/h3-4H,5-7H2,1-2H3/b8-3-,9-4+
- InChI Key
- PSMXGHHIXPUKSP-SNXNNQDSSA-N
- Formula
- C9H14
- SMILES
- CC=C1CCCC1=CC
- Molecular Weight1
- 122.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 6.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.063 | Crippen Calculated Property | |
| McVol | 118.210 | ml/mol | McGowan Calculated Property |
| Inp | [969.00; 969.00] |
|
|
| Inp | 969.00 | NIST | |
| Inp | 969.00 | NIST | |
| Tboil | 434.48 | K | Relay (1.0) Calculated Property |
| Tfus | 234.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [145.54; 392.32] | 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 | -4.95200e+01 | |||
| Coefficient B | 8.62040e-01 | |||
| Coefficient C | -5.85600e-04 | |||
| Coefficient D | 1.65400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 189.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 228.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 291.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 316.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 339.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 359.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 376.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023157; 0.0002107] | Pa×s | [227.05; 451.67] |
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 | -1.08883e+01 | |||
| Coefficient B | 1.09443e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 227.05 | |||
| Temperature range, max. | 451.67 | |||
| η | 0.0023157 | Pa×s | 227.05 | Calculated Property |
| η | 0.0014367 | Pa×s | 252.01 | Calculated Property |
| η | 0.0009714 | Pa×s | 276.97 | Calculated Property |
| η | 0.0007007 | Pa×s | 301.92 | Calculated Property |
| η | 0.0005313 | Pa×s | 326.88 | Calculated Property |
| η | 0.0004190 | Pa×s | 351.84 | Calculated Property |
| η | 0.0003410 | Pa×s | 376.80 | Calculated Property |
| η | 0.0002847 | Pa×s | 401.75 | Calculated Property |
| η | 0.0002428 | Pa×s | 426.71 | Calculated Property |
| η | 0.0002107 | Pa×s | 451.67 | Calculated Property |
Similar Compounds
Find more compounds similar to (E,Z)-1,2-Diethylidenecyclopentane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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