- InChI
- InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
- InChI Key
- GTDQGKWDWVUKTI-UHFFFAOYSA-N
- Formula
- C8H9NO
- SMILES
- CC(=O)c1ccccc1N
- Molecular Weight1
- 135.16
- CAS
- 551-93-9
- Other Names
-
- Acetophenone, 2'-amino-
- o-Aminoacetophenone
- o-Aminoacetylbenzene
- 2-Acetylaniline
- 2'-Aminoacetophenone
- 2-Aminoacetophenone
- o-Aminophenyl methyl ketone
- 1-Acetyl-2-aminobenzene
- ortho-Aminoacetophenone
- 2-Acetylphenylamine
- NSC 8820
- o-Acetylaniline
- 1-(2-aminophenyl)ethanone
- ortho-aminoacetophenone (2'-aminoacetophenone)
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.5190 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.471 | Crippen Calculated Property | |
| McVol | 111.370 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1325.00] |
|
|
| Inp | 1285.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1299.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1316.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1299.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1306.00 | NIST | |
| I | [2181.00; 2270.00] |
|
|
| I | 2225.00 | NIST | |
| I | 2242.00 | NIST | |
| I | 2240.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2223.00 | NIST | |
| I | 2202.00 | NIST | |
| I | 2202.00 | NIST | |
| I | 2222.00 | NIST | |
| I | 2204.00 | NIST | |
| I | 2229.00 | NIST | |
| I | 2222.00 | NIST | |
| I | 2218.00 | NIST | |
| I | Outlier 2270.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2222.00 | NIST | |
| I | 2184.00 | NIST | |
| I | 2182.00 | NIST | |
| I | 2213.00 | NIST | |
| I | 2187.00 | NIST | |
| I | 2252.00 | NIST | |
| I | 2227.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2238.00 | NIST | |
| I | 2234.00 | NIST | |
| I | 2227.00 | NIST | |
| I | 2223.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2210.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2181.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2187.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2223.00 | NIST | |
| I | 2229.00 | NIST | |
| Tboil | 536.21 | K | Relay (1.0) Calculated Property |
| Tc | 775.15 | K | Relay (1.0) Calculated Property |
| Tfus | 313.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 343.70 | K | 0.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.78; 335.48] | 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 | -1.01400e+01 | |||
| Coefficient B | 6.59320e-01 | |||
| Coefficient C | -4.00260e-04 | |||
| Coefficient D | 8.65600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 235.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 258.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 279.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 297.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 312.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 324.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2-aminophenyl)-.
Sources
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