- InChI
- InChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h3,5,8-9H,4,6-7H2,1-2H3
- InChI Key
- VEJUMQITLZVKQQ-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CC(C)CC1C=CCC1
- Molecular Weight1
- 124.23
- ω : Acentric Factor.
- 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).
- 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 | 0.2907 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -79.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [874.00; 881.00] |
|
|
| Inp | 881.00 | NIST | |
| Inp | 874.50 | NIST | |
| Inp | 878.80 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 881.00 | NIST | |
| I | [983.90; 999.00] |
|
|
| I | 999.00 | NIST | |
| I | 984.00 | NIST | |
| I | 991.00 | NIST | |
| I | 999.00 | NIST | |
| I | 998.80 | NIST | |
| I | 983.90 | NIST | |
| I | 991.30 | NIST | |
| I | 998.80 | NIST | |
| I | 983.90 | NIST | |
| I | 991.30 | NIST | |
| Tboil | [416.80; 416.80] | K |
|
| Tboil | 416.80 ± 1.00 | K | NIST |
| Tboil | 416.80 ± 1.00 | K | NIST |
| Tc | 600.86 | K | Relay (1.0) Calculated Property |
| Tfus | 169.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [156.39; 436.18] | 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 | -5.96790e+01 | |||
| Coefficient B | 9.40440e-01 | |||
| Coefficient C | -5.83680e-04 | |||
| Coefficient D | 1.39100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 322.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 378.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 400.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 419.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 436.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055288; 0.0002640] | Pa×s | [187.85; 432.11] |
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 | -1.05789e+01 | |||
| Coefficient B | 1.01084e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 187.85 | |||
| Temperature range, max. | 432.11 | |||
| η | 0.0055288 | Pa×s | 187.85 | Calculated Property |
| η | 0.0028030 | Pa×s | 214.99 | Calculated Property |
| η | 0.0016548 | Pa×s | 242.13 | Calculated Property |
| η | 0.0010864 | Pa×s | 269.27 | Calculated Property |
| η | 0.0007704 | Pa×s | 296.41 | Calculated Property |
| η | 0.0005787 | Pa×s | 323.55 | Calculated Property |
| η | 0.0004544 | Pa×s | 350.69 | Calculated Property |
| η | 0.0003695 | Pa×s | 377.83 | Calculated Property |
| η | 0.0003088 | Pa×s | 404.97 | Calculated Property |
| η | 0.0002640 | Pa×s | 432.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentene, 3-(2-methylpropyl)-.
Sources
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