- InChI
- InChI=1S/C3H5/c1-3-2/h3H,1-2H2
- InChI Key
- RMRFFCXPLWYOOY-UHFFFAOYSA-N
- Formula
- C3H5
- SMILES
- [CH2]C=C
- Molecular Weight1
- 41.07
- CAS
- 1981-80-2
- ω : Acentric Factor.
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°(+) ion : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
- ΔfH(+) ion,0K : Enthalpy of formation of positive ion at 0K (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.1687 | Relay (1.0) Calculated Property | |
| PAff | 736.00 | kJ/mol | NIST |
| BasG | 707.40 | kJ/mol | NIST |
| EA | [0.36; 0.55] | eV |
|
| EA | 0.48 ± 0.01 | eV | NIST |
| EA | 0.47 ± 0.10 | eV | NIST |
| EA | 0.36 ± 0.02 | eV | NIST |
| EA | 0.55 ± 0.05 | eV | NIST |
| ΔfG° | 114.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 171.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°(+) ion | 945.60 | kJ/mol | NIST |
| ΔfH(+) ion,0K | 957.70 | kJ/mol | NIST |
| ΔfusH° | 3.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 17.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.07; 8.18] | eV |
|
| IE | 8.18 ± 0.07 | eV | NIST |
| IE | 8.10 | eV | NIST |
| IE | 8.13 ± 0.02 | eV | NIST |
| IE | 8.07 ± 0.03 | eV | NIST |
| IE | 8.10 ± 0.10 | eV | NIST |
| log10WS | -1.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.006 | Crippen Calculated Property | |
| McVol | 46.680 | ml/mol | McGowan Calculated Property |
| Pc | 4959.33 | kPa | Joback Calculated Property |
| Tboil | 253.20 | K | Relay (1.0) Calculated Property |
| Tc | 393.30 | K | Relay (1.0) Calculated Property |
| Tfus | 96.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.176 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [53.80; 129.46] | 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 | -2.32390e+01 | |||
| Coefficient B | 3.71900e-01 | |||
| Coefficient C | -3.69700e-04 | |||
| Coefficient D | 1.50500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 53.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 68.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 80.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 90.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 98.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 105.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 111.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 117.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 123.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 129.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001319; 0.0000992] | Pa×s | [138.18; 296.53] |
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 | -9.46665e+00 | |||
| Coefficient B | 7.36300e+01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 138.18 | |||
| Temperature range, max. | 296.53 | |||
| η | 0.0001319 | Pa×s | 138.18 | Calculated Property |
| η | 0.0001242 | Pa×s | 155.77 | Calculated Property |
| η | 0.0001183 | Pa×s | 173.37 | Calculated Property |
| η | 0.0001138 | Pa×s | 190.96 | Calculated Property |
| η | 0.0001102 | Pa×s | 208.56 | Calculated Property |
| η | 0.0001072 | Pa×s | 226.15 | Calculated Property |
| η | 0.0001047 | Pa×s | 243.74 | Calculated Property |
| η | 0.0001026 | Pa×s | 261.34 | Calculated Property |
| η | 0.0001008 | Pa×s | 278.93 | Calculated Property |
| η | 0.0000992 | Pa×s | 296.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl radical.
Sources
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