- InChI
- InChI=1S/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
- InChI Key
- NGMMGKYJUWYIIG-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- NC(=O)c1cccc(O)c1
- Molecular Weight1
- 137.14
- 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).
- Psub : Sublimation 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° | -96.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.80 | kJ/mol | Thermod... |
| ΔvapH° | 63.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 0.491 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 6009.25 | kPa | Joback Calculated Property |
| Tboil | 593.26 | K | Joback Calculated Property |
| Tc | 841.84 | K | Joback Calculated Property |
| Tfus | 440.70 | K | Thermod... |
| Vc | 0.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.37; 287.34] | J/mol×K | [593.26; 841.84] | 
|
| Cp,gas | 242.37 | J/mol×K | 593.26 | Joback Calculated Property |
| Cp,gas | 251.48 | J/mol×K | 634.69 | Joback Calculated Property |
| Cp,gas | 259.81 | J/mol×K | 676.12 | Joback Calculated Property |
| Cp,gas | 267.46 | J/mol×K | 717.55 | Joback Calculated Property |
| Cp,gas | 274.53 | J/mol×K | 758.98 | Joback Calculated Property |
| Cp,gas | 281.13 | J/mol×K | 800.41 | Joback Calculated Property |
| Cp,gas | 287.34 | J/mol×K | 841.84 | Joback Calculated Property |
| Psub | [2.62e-05; 4.27e-04] | kPa | [367.65; 396.15] |
|
| Psub | 2.62e-05 | kPa | 367.65 | Thermod... |
| Psub | 3.30e-05 | kPa | 369.65 | Thermod... |
| Psub | 3.84e-05 | kPa | 371.65 | Thermod... |
| Psub | 4.83e-05 | kPa | 374.15 | Thermod... |
| Psub | 5.78e-05 | kPa | 376.15 | Thermod... |
| Psub | 7.06e-05 | kPa | 377.15 | Thermod... |
| Psub | 8.21e-05 | kPa | 379.15 | Thermod... |
| Psub | 8.29e-05 | kPa | 379.65 | Thermod... |
| Psub | 9.16e-05 | kPa | 380.15 | Thermod... |
| Psub | 1.01e-04 | kPa | 381.65 | Thermod... |
| Psub | 1.29e-04 | kPa | 383.15 | Thermod... |
| Psub | 1.31e-04 | kPa | 383.65 | Thermod... |
| Psub | 1.44e-04 | kPa | 385.15 | Thermod... |
| Psub | 1.69e-04 | kPa | 386.15 | Thermod... |
| Psub | 1.92e-04 | kPa | 388.15 | Thermod... |
| Psub | 2.52e-04 | kPa | 390.15 | Thermod... |
| Psub | 3.07e-04 | kPa | 392.65 | Thermod... |
| Psub | 3.57e-04 | kPa | 394.15 | Thermod... |
| Psub | 4.27e-04 | kPa | 396.15 | Thermod... |
Similar Compounds
Find more compounds similar to 3-hydroxy-benzamide.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic and structural aspects of hydroxybenzamide molecular crystals study
- Joback Method
- McGowan Method
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