- InChI
- InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
- InChI Key
- CKQHAYFOPRIUOM-UHFFFAOYSA-N
- Formula
- C8H9NO
- SMILES
- CC(=O)c1cccc(N)c1
- Molecular Weight1
- 135.16
- CAS
- 99-03-6
- Other Names
-
- 1-(3-Aminophenyl)ethanone
- 3'-Aminoacetophenone
- 3-Acetylaniline
- 3-Acetylphenylamine
- 3-Aminoacetofenon
- Acetophenone, 3'-amino-
- Acetophenone, m-amino-
- Ethanone, 1-(3-aminophenyl)-
- NSC 7637
- m-Acetylaniline
- m-Aminoacetophenone
- m-Aminoacetylbenzene
- «beta»-Aminoacetophenone
- «beta»-Aminoacetophenone
- ΔcH°solid : Standard solid enthalpy of combustion (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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔcH°solid | -4261.00 ± 0.40 | kJ/mol | NIST |
| ΔfG° | 56.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.18 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -173.00 ± 0.40 | kJ/mol | NIST |
| ΔfusH° | 16.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.73 | kJ/mol | Joback Calculated Property |
| IE | [8.09; 8.60] | eV |
|
| IE | 8.60 ± 0.20 | eV | NIST |
| IE | 8.09 ± 0.05 | eV | NIST |
| log10WS | -1.28 | Aq. Sol... | |
| logPoct/wat | 1.471 | Crippen Calculated Property | |
| McVol | 111.370 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Inp | 1409.00 | NIST | |
| I | [2518.00; 2518.00] |
|
|
| I | 2518.00 | NIST | |
| I | 2518.00 | NIST | |
| I | 2518.00 | NIST | |
| Tboil | 562.70 | K | NIST |
| Tc | 774.37 | K | Joback Calculated Property |
| Tfus | 370.32 | K | Aq. Sol... |
| Vc | 0.410 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.96; 300.60] | J/mol×K | [540.50; 774.37] |
|
| Cp,gas | 242.96 | J/mol×K | 540.50 | Joback Calculated Property |
| Cp,gas | 254.36 | J/mol×K | 579.48 | Joback Calculated Property |
| Cp,gas | 265.00 | J/mol×K | 618.46 | Joback Calculated Property |
| Cp,gas | 274.92 | J/mol×K | 657.43 | Joback Calculated Property |
| Cp,gas | 284.13 | J/mol×K | 696.41 | Joback Calculated Property |
| Cp,gas | 292.68 | J/mol×K | 735.39 | Joback Calculated Property |
| Cp,gas | 300.60 | J/mol×K | 774.37 | Joback Calculated Property |
| ΔfusH | [29.00; 29.00] | kJ/mol | [371.20; 371.20] |
|
| ΔfusH | 29.00 | kJ/mol | 371.20 | NIST |
| ΔfusH | 29.00 | kJ/mol | 371.20 | NIST |
Similar Compounds
Find more compounds similar to 3-Aminoacetophenone.
Sources
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