- InChI
- InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
- InChI Key
- WUKHOVCMWXMOOA-UHFFFAOYSA-N
- Formula
- C8H7NO4
- SMILES
- O=C(O)Cc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 181.15
- CAS
- 1877-73-2
- Other Names
-
- 3-Nitrophenylacetic acid
- m-Nitrophenyl acetic acid
- Acetic acid, (m-nitrophenyl)-
- 3-Nitrobenzeneacetic acid
- 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° | -110.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 1.222 | Crippen Calculated Property | |
| McVol | 124.680 | ml/mol | McGowan Calculated Property |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Tboil | 711.99 | K | Joback Calculated Property |
| Tc | 941.67 | K | Joback Calculated Property |
| Tfus | 390.65 ± 2.00 | K | NIST |
| Vc | 0.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.34; 357.18] | J/mol×K | [711.99; 941.67] | 
|
| Cp,gas | 316.34 | J/mol×K | 711.99 | Joback Calculated Property |
| Cp,gas | 324.71 | J/mol×K | 750.27 | Joback Calculated Property |
| Cp,gas | 332.40 | J/mol×K | 788.55 | Joback Calculated Property |
| Cp,gas | 339.46 | J/mol×K | 826.83 | Joback Calculated Property |
| Cp,gas | 345.92 | J/mol×K | 865.11 | Joback Calculated Property |
| Cp,gas | 351.81 | J/mol×K | 903.39 | Joback Calculated Property |
| Cp,gas | 357.18 | J/mol×K | 941.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 3-nitro-.
Sources
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