- 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° | -292.02 | 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° | 21.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.34 | 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 | 3980.54 | kPa | Joback Calculated Property |
| Tboil | 459.29 | K | Relay (1.0) Calculated Property |
| Tc | 667.10 | K | Relay (1.0) Calculated Property |
| Tfus | 239.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.12; 245.13] | J/mol×K | [501.18; 713.91] | 
|
| Cp,gas | 200.12 | J/mol×K | 501.18 | Joback Calculated Property |
| Cp,gas | 208.75 | J/mol×K | 536.64 | Joback Calculated Property |
| Cp,gas | 216.93 | J/mol×K | 572.09 | Joback Calculated Property |
| Cp,gas | 224.66 | J/mol×K | 607.55 | Joback Calculated Property |
| Cp,gas | 231.93 | J/mol×K | 643.00 | Joback Calculated Property |
| Cp,gas | 238.76 | J/mol×K | 678.46 | Joback Calculated Property |
| Cp,gas | 245.13 | J/mol×K | 713.91 | 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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