- InChI
- InChI=1S/C3H7NO4/c1-3(5)2-8-4(6)7/h3,5H,2H2,1H3
- InChI Key
- OMDFJTSKBNDDRM-UHFFFAOYSA-N
- Formula
- C3H7NO4
- SMILES
- CC(O)CO[N+](=O)[O-]
- Molecular Weight1
- 121.09
- 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 | 0.6603 | Relay (... Calculated Property | |
| ΔfG° | -234.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.49 | kJ/mol | Relay (... Calculated Property |
| IE | 11.14 | eV | Relay (... Calculated Property |
| log10WS | 0.38 | Relay (... Calculated Property | |
| logPoct/wat | -0.425 | Crippen Calculated Property | |
| McVol | 82.290 | ml/mol | McGowan Calculated Property |
| Pc | 5022.80 | kPa | Joback Calculated Property |
| Tboil | 449.74 | K | Relay (... Calculated Property |
| Tc | 625.41 | K | Relay (... Calculated Property |
| Tfus | 251.97 | K | Relay (... Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.40; 226.45] | J/mol×K | [534.04; 733.87] | 
|
| Cp,gas | 189.40 | J/mol×K | 534.04 | Joback Calculated Property |
| Cp,gas | 196.36 | J/mol×K | 567.34 | Joback Calculated Property |
| Cp,gas | 203.01 | J/mol×K | 600.65 | Joback Calculated Property |
| Cp,gas | 209.35 | J/mol×K | 633.95 | Joback Calculated Property |
| Cp,gas | 215.36 | J/mol×K | 667.26 | Joback Calculated Property |
| Cp,gas | 221.06 | J/mol×K | 700.56 | Joback Calculated Property |
| Cp,gas | 226.45 | J/mol×K | 733.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Propanediol, 1-nitrate-.
Sources
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