- InChI
- InChI=1S/C4H7/c1-4(2)3/h1-2H2,3H3
- InChI Key
- LJXPWUAAAAXJBX-UHFFFAOYSA-N
- Formula
- C4H7
- SMILES
- [CH2]C(=C)C
- Molecular Weight1
- 55.10
- CAS
- 15157-95-6
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 | 0.2435 | Relay (... Calculated Property | |
| PAff | 778.00 | kJ/mol | NIST |
| BasG | 747.30 | kJ/mol | NIST |
| EA | [0.36; 0.51] | eV |
|
| EA | 0.51 ± 0.01 | eV | NIST |
| EA | 0.36 ± 0.13 | eV | NIST |
| ΔfG° | 114.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 111.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 5.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 18.29 | kJ/mol | Relay (... Calculated Property |
| IE | [7.88; 7.95] | eV |
|
| IE | 7.90 ± 0.02 | eV | NIST |
| IE | 7.89 | eV | NIST |
| IE | 7.88 ± 0.05 | eV | NIST |
| IE | 7.95 ± 0.02 | eV | NIST |
| log10WS | -1.78 | Relay (... Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 60.770 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Tboil | 276.31 | K | Relay (... Calculated Property |
| Tc | 421.18 | K | Relay (... Calculated Property |
| Tfus | 133.97 | K | Relay (... Calculated Property |
| Vc | 0.231 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [78.84; 115.16] | J/mol×K | [286.78; 451.69] |
|
| Cp,gas | 78.84 | J/mol×K | 286.78 | Joback Calculated Property |
| Cp,gas | 85.85 | J/mol×K | 314.27 | Joback Calculated Property |
| Cp,gas | 92.45 | J/mol×K | 341.75 | Joback Calculated Property |
| Cp,gas | 98.66 | J/mol×K | 369.24 | Joback Calculated Property |
| Cp,gas | 104.50 | J/mol×K | 396.72 | Joback Calculated Property |
| Cp,gas | 109.99 | J/mol×K | 424.21 | Joback Calculated Property |
| Cp,gas | 115.16 | J/mol×K | 451.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylallyl radical.
Sources
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