- InChI
- InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
- InChI Key
- FXWFZIRWWNPPOV-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- Nc1ccccc1C=O
- Molecular Weight1
- 121.14
- CAS
- 529-23-7
- Other Names
-
- Benzaldehyde, 2-amino-
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 77.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 1.081 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 4802.50 | kPa | Joback Calculated Property |
| Inp | 1222.00 | NIST | |
| Tboil | 512.41 | K | Joback Calculated Property |
| Tc | 744.79 | K | Joback Calculated Property |
| Tfus | 313.00 | K | NIST |
| Vc | 0.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.34; 252.33] | J/mol×K | [512.41; 744.79] | 
|
| Cp,gas | 202.34 | J/mol×K | 512.41 | Joback Calculated Property |
| Cp,gas | 212.25 | J/mol×K | 551.14 | Joback Calculated Property |
| Cp,gas | 221.48 | J/mol×K | 589.87 | Joback Calculated Property |
| Cp,gas | 230.08 | J/mol×K | 628.60 | Joback Calculated Property |
| Cp,gas | 238.07 | J/mol×K | 667.33 | Joback Calculated Property |
| Cp,gas | 245.48 | J/mol×K | 706.06 | Joback Calculated Property |
| Cp,gas | 252.33 | J/mol×K | 744.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 355.50 ± 2.50 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to 2-aminobenzaldehyde.
Sources
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