- InChI
- InChI=1S/C5H9NO4/c1-3-10-5(7)4(2)6(8)9/h4H,3H2,1-2H3
- InChI Key
- ZXBGJDZWJJFFQY-UHFFFAOYSA-N
- Formula
- C5H9NO4
- SMILES
- CCOC(=O)C(C)[N+](=O)[O-]
- Molecular Weight1
- 147.13
- CAS
- 2531-80-8
- Other Names
-
- Propanoic acid, 2-nitro-, ethyl ester
- Propionic acid, 2-nitro-, ethyl ester
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -209.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.08 | kJ/mol | Joback Calculated Property |
| log10WS | -0.97 | Crippen Calculated Property | |
| logPoct/wat | 0.215 | Crippen Calculated Property | |
| McVol | 106.170 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Tboil | 463.70 | K | NIST |
| Tc | 758.30 | K | Joback Calculated Property |
| Tfus | 346.88 | K | Joback Calculated Property |
| Vc | 0.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.84; 295.35] | J/mol×K | [541.49; 758.30] | 
|
| Cp,gas | 243.84 | J/mol×K | 541.49 | Joback Calculated Property |
| Cp,gas | 253.68 | J/mol×K | 577.62 | Joback Calculated Property |
| Cp,gas | 263.02 | J/mol×K | 613.76 | Joback Calculated Property |
| Cp,gas | 271.86 | J/mol×K | 649.89 | Joback Calculated Property |
| Cp,gas | 280.19 | J/mol×K | 686.03 | Joback Calculated Property |
| Cp,gas | 288.03 | J/mol×K | 722.16 | Joback Calculated Property |
| Cp,gas | 295.35 | J/mol×K | 758.30 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 348.70 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to Ethyl 2-nitropropionate.
Sources
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