- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6800 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.80 | kJ/mol | Thermodynamic and structural aspects of hydroxybenzamide molecular crystals study |
| ΔvapH° | 86.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.92 | Relay (1.0) 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 | 569.23 | K | Relay (1.0) Calculated Property |
| Tc | 832.35 | K | Relay (1.0) Calculated Property |
| Tfus | 414.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.91; 309.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.24500e+01 | |||
| Coefficient B | 7.78400e-01 | |||
| Coefficient C | -6.69260e-04 | |||
| Coefficient D | 2.32660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 222.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 243.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 259.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 298.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 309.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-benzamide.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K
- Thermodynamic and structural aspects of hydroxybenzamide molecular crystals study
- Joback Method
- McGowan Method
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