- InChI
- InChI=1S/C4H7NO2/c1-3-4(2)5(6)7/h3H,1-2H3/b4-3+
- InChI Key
- DAHZYRVPEHDLPG-ONEGZZNKSA-N
- Formula
- C4H7NO2
- SMILES
- CC=C(C)[N+](=O)[O-]
- Molecular Weight1
- 101.10
- CAS
- 4812-23-1
- Other Names
-
- 2-Nitro-2-butene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.3308 | Relay (... Calculated Property | |
| ΔfG° | 90.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.80 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | -1.62 | Relay (... Calculated Property | |
| logPoct/wat | 1.187 | Crippen Calculated Property | |
| McVol | 80.340 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Tboil | 419.95 | K | Relay (... Calculated Property |
| Tc | 630.09 | K | Relay (... Calculated Property |
| Tfus | 288.95 | K | Relay (... Calculated Property |
| Vc | 0.276 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.53; 198.65] | J/mol×K | [446.80; 669.05] | 
|
| Cp,gas | 153.53 | J/mol×K | 446.80 | Joback Calculated Property |
| Cp,gas | 162.35 | J/mol×K | 483.84 | Joback Calculated Property |
| Cp,gas | 170.61 | J/mol×K | 520.88 | Joback Calculated Property |
| Cp,gas | 178.34 | J/mol×K | 557.93 | Joback Calculated Property |
| Cp,gas | 185.56 | J/mol×K | 594.97 | Joback Calculated Property |
| Cp,gas | 192.32 | J/mol×K | 632.01 | Joback Calculated Property |
| Cp,gas | 198.65 | J/mol×K | 669.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 2-nitro-.
Sources
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