- InChI
- InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
- InChI Key
- GSCPDZHWVNUUFI-UHFFFAOYSA-N
- Formula
- C7H8N2O
- SMILES
- NC(=O)c1cccc(N)c1
- Molecular Weight1
- 136.15
- CAS
- 3544-24-9
- Other Names
-
- 3-NH2-C6H4CONH2
- 3-aminobenzamide
- Benzamide, m-amino-
- m-aminobenzamide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| PAff | 900.90 | kJ/mol | NIST |
| BasG | 869.90 | kJ/mol | NIST |
| ΔfG° | 114.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.28 | Crippen Calculated Property | |
| logPoct/wat | 0.368 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 5123.98 | kPa | Joback Calculated Property |
| Tboil | 590.15 | K | Joback Calculated Property |
| Tc | 837.19 | K | Joback Calculated Property |
| Tfus | 424.04 | K | Joback Calculated Property |
| Ttriple | 352.40 | K | Experim... |
| Vc | 0.384 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.85; 298.94] | J/mol×K | [590.15; 837.19] | 
|
| Cp,gas | 248.85 | J/mol×K | 590.15 | Joback Calculated Property |
| Cp,gas | 259.00 | J/mol×K | 631.32 | Joback Calculated Property |
| Cp,gas | 268.39 | J/mol×K | 672.50 | Joback Calculated Property |
| Cp,gas | 277.04 | J/mol×K | 713.67 | Joback Calculated Property |
| Cp,gas | 284.99 | J/mol×K | 754.84 | Joback Calculated Property |
| Cp,gas | 292.28 | J/mol×K | 796.02 | Joback Calculated Property |
| Cp,gas | 298.94 | J/mol×K | 837.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-amino-.
Sources
- Crippen Method
- Crippen Method
- Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
- Joback Method
- McGowan Method
- NIST Webbook
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