- InChI
- InChI=1S/C10H11NO5/c1-7(12)16-6-8-3-4-10(15-2)9(5-8)11(13)14/h3-5H,6H2,1-2H3
- InChI Key
- GQZJPLTVIHEURG-UHFFFAOYSA-N
- Formula
- C10H11NO5
- SMILES
-
COc1ccc(COC(C)=O)cc1[N+](=O)[O
-] - Molecular Weight1
- 225.20
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -176.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 1.666 | Crippen Calculated Property | |
| McVol | 158.730 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | 1878.00 | NIST | |
| Tboil | 715.39 | K | Joback Calculated Property |
| Tc | 950.05 | K | Joback Calculated Property |
| Tfus | 491.92 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.63; 474.90] | J/mol×K | [715.39; 950.05] | 
|
| Cp,gas | 417.63 | J/mol×K | 715.39 | Joback Calculated Property |
| Cp,gas | 429.41 | J/mol×K | 754.50 | Joback Calculated Property |
| Cp,gas | 440.30 | J/mol×K | 793.61 | Joback Calculated Property |
| Cp,gas | 450.30 | J/mol×K | 832.72 | Joback Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 871.83 | Joback Calculated Property |
| Cp,gas | 467.61 | J/mol×K | 910.94 | Joback Calculated Property |
| Cp,gas | 474.90 | J/mol×K | 950.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (4-methoxy-3-nitrophenyl)methyl ester.
Sources
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