- InChI
- InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
- InChI Key
- ALBSWLMUHHZLLR-UHFFFAOYSA-N
- Formula
- C3H5NO4
- SMILES
- COC(=O)C[N+](=O)[O-]
- Molecular Weight1
- 119.08
- CAS
- 2483-57-0
- Other Names
-
- Methyl nitroacetate
- Nitroacetic acid methyl ester
- Methyl 2-nitroacetate
- Methyl a-nitroacetate
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-1432.80; -1431.10] | kJ/mol |
|
| ΔcH°liquid | -1431.10 ± 0.30 | kJ/mol | NIST |
| ΔcH°liquid | -1432.80 ± 0.30 | kJ/mol | NIST |
| ΔfG° | -223.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.02 | kJ/mol | Joback Calculated Property |
| log10WS | -0.03 | Crippen Calculated Property | |
| logPoct/wat | -0.564 | Crippen Calculated Property | |
| McVol | 77.990 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Tboil | 496.17 | K | Joback Calculated Property |
| Tc | 715.35 | K | Joback Calculated Property |
| Tfus | 339.34 | K | Joback Calculated Property |
| Vc | 0.309 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.79; 198.72] | J/mol×K | [496.17; 715.35] |
|
| Cp,gas | 161.79 | J/mol×K | 496.17 | Joback Calculated Property |
| Cp,gas | 168.76 | J/mol×K | 532.70 | Joback Calculated Property |
| Cp,gas | 175.41 | J/mol×K | 569.23 | Joback Calculated Property |
| Cp,gas | 181.74 | J/mol×K | 605.76 | Joback Calculated Property |
| Cp,gas | 187.74 | J/mol×K | 642.29 | Joback Calculated Property |
| Cp,gas | 193.40 | J/mol×K | 678.82 | Joback Calculated Property |
| Cp,gas | 198.72 | J/mol×K | 715.35 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.20 | K | 3.70 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, nitro-, methyl ester.
Sources
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