- InChI
- InChI=1S/C3H3/c1-2-3-1/h1-3H
- InChI Key
- UKPXULFIISGBHG-UHFFFAOYSA-N
- Formula
- C3H3
- SMILES
- [CH]1C=C1
- Molecular Weight1
- 39.06
- CAS
- 28933-84-8
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°(+) ion : Enthalpy of formation of positive ion 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 | 734.30 | kJ/mol | NIST |
| BasG | 701.80 | kJ/mol | NIST |
| ΔfH°gas | 159.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°(+) ion | 1080.00 | kJ/mol | NIST |
| ΔfusH° | 4.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 18.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.60 | eV | NIST |
| logPoct/wat | 0.760 | Crippen Calculated Property | |
| McVol | 35.820 | ml/mol | McGowan Calculated Property |
| Tboil | 271.28 | K | Relay (1.0) Calculated Property |
| Tfus | 172.15 | 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 | [33.69; 106.41] | 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 | -6.27100e+01 | |||
| Coefficient B | 4.86800e-01 | |||
| Coefficient C | -5.54280e-04 | |||
| Coefficient D | 2.36600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 33.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 50.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 63.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 73.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 80.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 86.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 90.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 95.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 100.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 106.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0000232; 0.0001012] | Pa×s | [158.64; 313.38] |
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 | -7.68998e+00 | |||
| Coefficient B | -4.72810e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 158.64 | |||
| Temperature range, max. | 313.38 | |||
| η | 0.0000232 | Pa×s | 158.64 | Calculated Property |
| η | 0.0000311 | Pa×s | 175.83 | Calculated Property |
| η | 0.0000395 | Pa×s | 193.03 | Calculated Property |
| η | 0.0000483 | Pa×s | 210.22 | Calculated Property |
| η | 0.0000572 | Pa×s | 227.41 | Calculated Property |
| η | 0.0000662 | Pa×s | 244.61 | Calculated Property |
| η | 0.0000752 | Pa×s | 261.80 | Calculated Property |
| η | 0.0000840 | Pa×s | 279.00 | Calculated Property |
| η | 0.0000927 | Pa×s | 296.19 | Calculated Property |
| η | 0.0001012 | Pa×s | 313.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropenyl 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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