- InChI
- InChI=1S/C9H16/c1-2-3-6-9-7-4-5-8-9/h4,7,9H,2-3,5-6,8H2,1H3
- InChI Key
- OCVYLEAVUIYGLL-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CCCCC1C=CCC1
- Molecular Weight1
- 124.23
- Other Names
-
- 3-Butyl-1-cyclopentene
- 3-Butylcyclopentene-1
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : 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 | -52.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.22 | kJ/mol | Joback Calculated Property |
| IE | 8.83 ± 0.02 | eV | NIST |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Inp | [910.00; 944.00] |
|
|
| Inp | 911.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | Outlier 944.00 | NIST | |
| Inp | 910.50 | NIST | |
| Inp | 914.30 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 911.00 | NIST | |
| I | [1022.90; 1049.00] |
|
|
| I | 1042.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1027.00 | NIST | |
| I | 1035.00 | NIST | |
| I | 1032.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1039.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1023.00 | NIST | |
| I | 1028.00 | NIST | |
| I | 1031.60 | NIST | |
| I | 1035.70 | NIST | |
| I | 1039.10 | NIST | |
| I | 1042.60 | NIST | |
| I | 1022.90 | NIST | |
| I | 1027.50 | NIST | |
| I | 1042.00 | NIST | |
| I | 1042.40 | NIST | |
| I | 1028.10 | NIST | |
| I | 1036.60 | NIST | |
| I | 1042.40 | NIST | |
| I | 1028.10 | NIST | |
| I | 1036.60 | NIST | |
| Tboil | 424.80 ± 0.70 | K | NIST |
| Tfus | 172.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [156.70; 435.64] | 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 | -5.79970e+01 | |||
| Coefficient B | 9.34520e-01 | |||
| Coefficient C | -5.80480e-04 | |||
| Coefficient D | 1.39600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 249.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 322.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 351.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 377.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 399.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 418.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 435.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035241; 0.0002808] | Pa×s | [202.85; 429.18] |
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 | -1.04449e+01 | |||
| Coefficient B | 9.73020e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 202.85 | |||
| Temperature range, max. | 429.18 | |||
| η | 0.0035241 | Pa×s | 202.85 | Calculated Property |
| η | 0.0020762 | Pa×s | 228.00 | Calculated Property |
| η | 0.0013588 | Pa×s | 253.15 | Calculated Property |
| η | 0.0009601 | Pa×s | 278.29 | Calculated Property |
| η | 0.0007186 | Pa×s | 303.44 | Calculated Property |
| η | 0.0005622 | Pa×s | 328.59 | Calculated Property |
| η | 0.0004555 | Pa×s | 353.74 | Calculated Property |
| η | 0.0003795 | Pa×s | 378.88 | Calculated Property |
| η | 0.0003234 | Pa×s | 404.03 | Calculated Property |
| η | 0.0002808 | Pa×s | 429.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentene, 3-butyl-.
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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