- InChI
- InChI=1S/C9H9NO3/c11-8(6-9(12)13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
- InChI Key
- NOJXRHBIVBIMQY-UHFFFAOYSA-N
- Formula
- C9H9NO3
- SMILES
- O=C(O)CC(=O)Nc1ccccc1
- Molecular Weight1
- 179.17
- CAS
- 15580-32-2
- 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° | -167.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.51 | kJ/mol | Joback Calculated Property |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 1.100 | Crippen Calculated Property | |
| McVol | 132.900 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Tboil | 682.09 | K | Joback Calculated Property |
| Tc | 892.20 | K | Joback Calculated Property |
| Tfus | 430.95 | K | Joback Calculated Property |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.18; 382.84] | J/mol×K | [682.09; 892.20] | 
|
| Cp,gas | 337.18 | J/mol×K | 682.09 | Joback Calculated Property |
| Cp,gas | 346.36 | J/mol×K | 717.11 | Joback Calculated Property |
| Cp,gas | 354.86 | J/mol×K | 752.13 | Joback Calculated Property |
| Cp,gas | 362.73 | J/mol×K | 787.15 | Joback Calculated Property |
| Cp,gas | 370.00 | J/mol×K | 822.16 | Joback Calculated Property |
| Cp,gas | 376.69 | J/mol×K | 857.18 | Joback Calculated Property |
| Cp,gas | 382.84 | J/mol×K | 892.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonanilic acid.
Sources
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