- InChI
- InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
- InChI Key
- PXBFMLJZNCDSMP-UHFFFAOYSA-N
- Formula
- C7H8N2O
- SMILES
- NC(=O)c1ccccc1N
- Molecular Weight1
- 136.15
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 114.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [20.90; 21.90] | kJ/mol |
|
| ΔfusH° | 20.90 | kJ/mol | Experim... |
| ΔfusH° | 21.90 | kJ/mol | Solubil... |
| 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 | [383.65; 384.40] | K |
|
| Ttriple | 384.40 | K | Experim... |
| Ttriple | 383.65 | K | Solubil... |
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 250 260 270 280 290 300 600 700 800 | ||||
| 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 |
| Psub | [9.50e-05; 9.94e-04] | kPa | [335.11; 357.16] |
|
|
T(K) Sublimation pressure (kPa) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 340 350 | ||||
| Psub | 9.50e-05 | kPa | 335.11 | Experim... |
| Psub | 9.50e-05 | kPa | 335.11 | Experim... |
| Psub | 9.60e-05 | kPa | 335.11 | Experim... |
| Psub | 1.21e-04 | kPa | 337.17 | Experim... |
| Psub | 1.21e-04 | kPa | 337.17 | Experim... |
| Psub | 1.20e-04 | kPa | 337.17 | Experim... |
| Psub | 1.49e-04 | kPa | 339.17 | Experim... |
| Psub | 1.52e-04 | kPa | 339.17 | Experim... |
| Psub | 1.50e-04 | kPa | 339.17 | Experim... |
| Psub | 1.90e-04 | kPa | 341.10 | Experim... |
| Psub | 1.87e-04 | kPa | 341.10 | Experim... |
| Psub | 1.88e-04 | kPa | 341.10 | Experim... |
| Psub | 2.36e-04 | kPa | 343.16 | Experim... |
| Psub | 2.32e-04 | kPa | 343.16 | Experim... |
| Psub | 2.37e-04 | kPa | 343.16 | Experim... |
| Psub | 2.98e-04 | kPa | 345.16 | Experim... |
| Psub | 2.85e-04 | kPa | 345.16 | Experim... |
| Psub | 2.90e-04 | kPa | 345.16 | Experim... |
| Psub | 3.57e-04 | kPa | 347.11 | Experim... |
| Psub | 3.59e-04 | kPa | 347.11 | Experim... |
| Psub | 3.59e-04 | kPa | 347.11 | Experim... |
| Psub | 4.41e-04 | kPa | 349.16 | Experim... |
| Psub | 4.45e-04 | kPa | 349.16 | Experim... |
| Psub | 4.35e-04 | kPa | 349.16 | Experim... |
| Psub | 5.30e-04 | kPa | 351.17 | Experim... |
| Psub | 5.39e-04 | kPa | 351.17 | Experim... |
| Psub | 5.45e-04 | kPa | 351.17 | Experim... |
| Psub | 6.63e-04 | kPa | 353.12 | Experim... |
| Psub | 6.67e-04 | kPa | 353.12 | Experim... |
| Psub | 6.67e-04 | kPa | 353.12 | Experim... |
| Psub | 8.20e-04 | kPa | 355.16 | Experim... |
| Psub | 8.26e-04 | kPa | 355.16 | Experim... |
| Psub | 8.06e-04 | kPa | 355.16 | Experim... |
| Psub | 9.93e-04 | kPa | 357.16 | Experim... |
| Psub | 9.94e-04 | kPa | 357.16 | Experim... |
| Psub | 9.93e-04 | kPa | 357.16 | Experim... |
Similar Compounds
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Sources
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- Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
- Solubility Measurement and Phase Equilibrium Modeling of 2-Aminobenzamide in 15 Pure Solvents
- Joback Method
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