- InChI
- InChI=1S/C9H9NO5/c1-14-9-4-7(5-15-6-11)2-3-8(9)10(12)13/h2-4,6H,5H2,1H3
- InChI Key
- WFSUXNOPTQWGRR-UHFFFAOYSA-N
- Formula
- C9H9NO5
- SMILES
- COc1cc(COC=O)ccc1[N+](=O)[O-]
- Molecular Weight1
- 211.17
- 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° | -155.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 1.276 | Crippen Calculated Property | |
| McVol | 144.640 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Inp | 1795.00 | NIST | |
| Tboil | 687.30 | K | Joback Calculated Property |
| Tc | 921.78 | K | Joback Calculated Property |
| Tfus | 472.72 | K | Joback Calculated Property |
| Vc | 0.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.54; 421.78] | J/mol×K | [687.30; 921.78] | 
|
| Cp,gas | 368.54 | J/mol×K | 687.30 | Joback Calculated Property |
| Cp,gas | 379.40 | J/mol×K | 726.38 | Joback Calculated Property |
| Cp,gas | 389.47 | J/mol×K | 765.46 | Joback Calculated Property |
| Cp,gas | 398.75 | J/mol×K | 804.54 | Joback Calculated Property |
| Cp,gas | 407.24 | J/mol×K | 843.62 | Joback Calculated Property |
| Cp,gas | 414.92 | J/mol×K | 882.70 | Joback Calculated Property |
| Cp,gas | 421.78 | J/mol×K | 921.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (3-methoxy-4-nitrophenyl)methyl ester.
Sources
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