- InChI
- InChI=1S/C9H16/c1-2-3-6-9-7-4-5-8-9/h6H,2-5,7-8H2,1H3
- InChI Key
- SFOPXUUMZRCYNJ-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CCCC=C1CCCC1
- Molecular Weight1
- 124.22
- 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 | -81.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.287 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Inp | [946.00; 949.00] |
|
|
| Inp | 949.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 949.00 | NIST | |
| Tboil | 426.93 | K | Relay (1.0) Calculated Property |
| Tfus | 170.18 | 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 | [153.23; 426.30] | 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 | -6.06180e+01 | |||
| Coefficient B | 9.39520e-01 | |||
| Coefficient C | -6.17100e-04 | |||
| Coefficient D | 1.64500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 153.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 244.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 343.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 368.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 390.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 409.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 426.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042711; 0.0002510] | Pa×s | [216.69; 441.74] |
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 | -1.10189e+01 | |||
| Coefficient B | 1.20545e+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. | 216.69 | |||
| Temperature range, max. | 441.74 | |||
| η | 0.0042711 | Pa×s | 216.69 | Calculated Property |
| η | 0.0024021 | Pa×s | 241.70 | Calculated Property |
| η | 0.0015049 | Pa×s | 266.70 | Calculated Property |
| η | 0.0010215 | Pa×s | 291.71 | Calculated Property |
| η | 0.0007371 | Pa×s | 316.71 | Calculated Property |
| η | 0.0005579 | Pa×s | 341.72 | Calculated Property |
| η | 0.0004387 | Pa×s | 366.72 | Calculated Property |
| η | 0.0003556 | Pa×s | 391.73 | Calculated Property |
| η | 0.0002957 | Pa×s | 416.73 | Calculated Property |
| η | 0.0002510 | Pa×s | 441.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, butylidene.
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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