- InChI
- InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
- InChI Key
- FTKASJMIPSSXBP-UHFFFAOYSA-N
- Formula
- C4H7NO4
- SMILES
- CCOC(=O)C[N+](=O)[O-]
- Molecular Weight1
- 133.10
- CAS
- 626-35-7
- Other Names
-
- Ethyl nitroacetate
- Nitroacetic acid ethyl ester
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ω | 0.4853 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2087.00 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -215.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -487.00 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 20.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.174 | Crippen Calculated Property | |
| McVol | 92.080 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Tboil | 459.29 | K | Relay (1.0) Calculated Property |
| Tc | 661.76 | K | Relay (1.0) Calculated Property |
| Tfus | 244.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.60; 245.63] | J/mol×K | [519.05; 734.66] | 
|
| Cp,gas | 201.60 | J/mol×K | 519.05 | Joback Calculated Property |
| Cp,gas | 209.95 | J/mol×K | 554.99 | Joback Calculated Property |
| Cp,gas | 217.90 | J/mol×K | 590.92 | Joback Calculated Property |
| Cp,gas | 225.44 | J/mol×K | 626.86 | Joback Calculated Property |
| Cp,gas | 232.58 | J/mol×K | 662.79 | Joback Calculated Property |
| Cp,gas | 239.31 | J/mol×K | 698.73 | Joback Calculated Property |
| Cp,gas | 245.63 | J/mol×K | 734.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, nitro-, ethyl ester.
Sources
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