- InChI
- InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3
- InChI Key
- FBHJNBWUGONVNS-UHFFFAOYSA-N
- Formula
- C9H9NO5
- SMILES
-
CCOC(=O)c1ccc(O)c([N+](=O)[O-]
)c1 - Molecular Weight1
- 211.17
- CAS
- 19013-10-6
- Other Names
-
- Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
- 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).
- 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° | -225.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 1.477 | Crippen Calculated Property | |
| McVol | 144.640 | ml/mol | McGowan Calculated Property |
| Pc | 4114.41 | kPa | Joback Calculated Property |
| Tboil | 745.73 | K | Joback Calculated Property |
| Tc | 995.02 | K | Joback Calculated Property |
| Tfus | 557.62 | K | Joback Calculated Property |
| Vc | 0.503 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.96; 437.40] | J/mol×K | [745.73; 995.02] | 
|
| Cp,gas | 386.96 | J/mol×K | 745.73 | Joback Calculated Property |
| Cp,gas | 396.80 | J/mol×K | 787.28 | Joback Calculated Property |
| Cp,gas | 405.96 | J/mol×K | 828.83 | Joback Calculated Property |
| Cp,gas | 414.52 | J/mol×K | 870.37 | Joback Calculated Property |
| Cp,gas | 422.56 | J/mol×K | 911.92 | Joback Calculated Property |
| Cp,gas | 430.16 | J/mol×K | 953.47 | Joback Calculated Property |
| Cp,gas | 437.40 | J/mol×K | 995.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4-hydroxy-3-nitrobenzoate.
Sources
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