- InChI
- InChI=1S/C5H5/c1-2-4-5-3-1/h1-5H
- InChI Key
- HPYIUKIBUJFXII-UHFFFAOYSA-N
- Formula
- C5H5
- SMILES
- [CH]1C=CC=C1
- Molecular Weight1
- 65.09
- CAS
- 2143-53-5
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| PAff | 831.50 | kJ/mol | NIST |
| BasG | 799.10 | kJ/mol | NIST |
| EA | [1.79; 2.20] | eV |
|
| EA | 1.93 ± 0.13 | eV | NIST |
| EA | 1.79 ± 0.02 | eV | NIST |
| EA | 1.79 ± 0.05 | eV | NIST |
| EA | 1.84 ± 0.03 | eV | NIST |
| EA | 2.20 ± 0.30 | eV | NIST |
| ΔfH°gas | 154.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.41; 8.70] | eV |
|
| IE | 8.41 | eV | NIST |
| IE | 8.56 | eV | NIST |
| IE | 8.70 ± 0.10 | eV | NIST |
| logPoct/wat | 1.317 | Crippen Calculated Property | |
| McVol | 59.700 | ml/mol | McGowan Calculated Property |
| Tboil | 327.60 | K | Relay (1.0) Calculated Property |
| Tfus | 245.42 | 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 | [59.86; 181.85] | 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 | -6.69900e+01 | |||
| Coefficient B | 6.01600e-01 | |||
| Coefficient C | -5.57560e-04 | |||
| Coefficient D | 2.04800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 59.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 85.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 105.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 122.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 136.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 148.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 157.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 166.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 173.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 181.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002442; 0.0002126] | Pa×s | [174.90; 365.89] |
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 | -8.58315e+00 | |||
| Coefficient B | 4.64900e+01 | |||
| 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. | 174.90 | |||
| Temperature range, max. | 365.89 | |||
| η | 0.0002442 | Pa×s | 174.90 | Calculated Property |
| η | 0.0002373 | Pa×s | 196.12 | Calculated Property |
| η | 0.0002319 | Pa×s | 217.34 | Calculated Property |
| η | 0.0002275 | Pa×s | 238.56 | Calculated Property |
| η | 0.0002239 | Pa×s | 259.79 | Calculated Property |
| η | 0.0002209 | Pa×s | 281.01 | Calculated Property |
| η | 0.0002184 | Pa×s | 302.23 | Calculated Property |
| η | 0.0002162 | Pa×s | 323.45 | Calculated Property |
| η | 0.0002143 | Pa×s | 344.67 | Calculated Property |
| η | 0.0002126 | Pa×s | 365.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentadienyl radical.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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