- InChI
- InChI=1S/C3H5NO2/c1-2-3-4(5)6/h2H,1,3H2
- InChI Key
- VLISOFDTMSFZPP-UHFFFAOYSA-N
- Formula
- C3H5NO2
- SMILES
- C=CC[N+](=O)[O-]
- Molecular Weight1
- 87.08
- CAS
- 625-46-7
- 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 |
|---|---|---|---|
| ΔfG° | 97.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.19 | kJ/mol | Joback Calculated Property |
| IE | [10.40; 10.65] | eV |
|
| IE | 10.40 | eV | NIST |
| IE | 10.65 | eV | NIST |
| log10WS | -1.02 | Crippen Calculated Property | |
| logPoct/wat | 0.449 | Crippen Calculated Property | |
| McVol | 66.250 | ml/mol | McGowan Calculated Property |
| Pc | 4743.15 | kPa | Joback Calculated Property |
| Tboil | 400.70 | K | NIST |
| Tc | 630.93 | K | Joback Calculated Property |
| Tfus | 265.42 | K | Joback Calculated Property |
| Vc | 0.267 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.71; 154.62] | J/mol×K | [416.56; 630.93] |
|
| Cp,gas | 118.71 | J/mol×K | 416.56 | Joback Calculated Property |
| Cp,gas | 125.65 | J/mol×K | 452.29 | Joback Calculated Property |
| Cp,gas | 132.18 | J/mol×K | 488.02 | Joback Calculated Property |
| Cp,gas | 138.32 | J/mol×K | 523.75 | Joback Calculated Property |
| Cp,gas | 144.10 | J/mol×K | 559.48 | Joback Calculated Property |
| Cp,gas | 149.53 | J/mol×K | 595.20 | Joback Calculated Property |
| Cp,gas | 154.62 | J/mol×K | 630.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3-nitro-.
Sources
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