- InChI
- InChI=1S/C9H9NO4/c1-7-3-2-4-8(5-14-6-11)9(7)10(12)13/h2-4,6H,5H2,1H3
- InChI Key
- JEOUXMLWULJREN-UHFFFAOYSA-N
- Formula
- C9H9NO4
- SMILES
- Cc1cccc(COC=O)c1[N+](=O)[O-]
- Molecular Weight1
- 195.17
- 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° | -50.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 1.576 | Crippen Calculated Property | |
| McVol | 138.770 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Inp | 1514.00 | NIST | |
| Tboil | 664.88 | K | Joback Calculated Property |
| Tc | 902.91 | K | Joback Calculated Property |
| Tfus | 450.49 | K | Joback Calculated Property |
| Vc | 0.548 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.52; 399.98] | J/mol×K | [664.88; 902.91] | 
|
| Cp,gas | 345.52 | J/mol×K | 664.88 | Joback Calculated Property |
| Cp,gas | 356.53 | J/mol×K | 704.55 | Joback Calculated Property |
| Cp,gas | 366.74 | J/mol×K | 744.22 | Joback Calculated Property |
| Cp,gas | 376.18 | J/mol×K | 783.89 | Joback Calculated Property |
| Cp,gas | 384.86 | J/mol×K | 823.56 | Joback Calculated Property |
| Cp,gas | 392.79 | J/mol×K | 863.24 | Joback Calculated Property |
| Cp,gas | 399.98 | J/mol×K | 902.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (3-methyl-2-nitrophenyl)methyl ester.
Sources
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