- InChI
- InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
- InChI Key
- GPRYKVSEZCQIHD-UHFFFAOYSA-N
- Formula
- C8H9NO
- SMILES
- CC(=O)c1ccc(N)cc1
- Molecular Weight1
- 135.16
- CAS
- 99-92-3
- Other Names
-
- 1-(4-Aminophenyl)ethanone
- 1-acetyl-4-aminobenzene
- 4'-aminoacetophenone
- 4-Aminoacetophenone
- 4-acetylaniline
- 4-acetylphenylamine
- Acetophenone, p-amino-
- NSC 3242
- USAF EK-631
- aniline, 4-acetyl-
- ethanone, 1-(4-aminophenyl)-
- p-Acetylaniline
- p-Aminoacetofenonu
- p-Aminoacetylbenzene
- p-aminoacetophenone
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔsubH : Enthalpy of sublimation 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 |
|---|---|---|---|
| ω | 0.5393 | Relay (1.0) Calculated Property | |
| PAff | 908.80 | kJ/mol | NIST |
| BasG | 877.00 | kJ/mol | NIST |
| ΔcH°solid | [-4729.64; -4252.20] | kJ/mol |
|
| ΔcH°solid | -4252.20 ± 0.40 | kJ/mol | NIST |
| ΔcH°solid | -4726.70 ± 0.80 | kJ/mol | NIST |
| ΔcH°solid | -4729.64 ± 0.84 | kJ/mol | NIST |
| ΔfG° | 56.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -182.00 ± 0.40 | kJ/mol | NIST |
| ΔfusH° | 19.56 | kJ/mol | Solid liquid equilibria for binary mixtures of N-phenylacetamide with 4-aminoacetophenone, 3-hydroxyacetophenone and 4-hydroxyacetophenone |
| ΔvapH° | 74.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.80; 8.30] | eV |
|
| IE | 7.80 ± 0.10 | eV | NIST |
| IE | 8.30 ± 0.10 | eV | NIST |
| IE | 8.17 ± 0.02 | eV | NIST |
| IE | 8.27 | eV | NIST |
| log10WS | -1.61 | Aq. Solubility Prediction | |
| logPoct/wat | 1.471 | Crippen Calculated Property | |
| McVol | 111.370 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Inp | [1440.00; 1440.00] |
|
|
| Inp | 1440.00 | NIST | |
| Inp | 1440.00 | NIST | |
| I | [2181.00; 2181.00] |
|
|
| I | 2181.00 | NIST | |
| I | 2181.00 | NIST | |
| Tboil | [567.00; 567.20] | K |
|
| Tboil | 567.20 | K | NIST |
| Tboil | 567.00 ± 1.00 | K | NIST |
| Tc | 775.68 | K | Relay (1.0) Calculated Property |
| Tfus | [379.00; 379.15] | K |
|
| Tfus | 379.00 | K | NIST |
| Tfus | 379.15 ± 1.00 | K | NIST |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [19.60; 38.00] | kJ/mol | [378.20; 379.20] |
|
| ΔfusH | 19.60 | kJ/mol | 378.20 | NIST |
| ΔfusH | 38.00 | kJ/mol | 379.20 | NIST |
| ΔfusH | 38.00 | kJ/mol | 379.20 | NIST |
| ΔsubH | 92.70 | kJ/mol | 326.00 | 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 Acetophenone, 4'-amino-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solid liquid equilibria for binary mixtures of N-phenylacetamide with 4-aminoacetophenone, 3-hydroxyacetophenone and 4-hydroxyacetophenone
- Thermochemistry of phase transitions of aromatic amines: Estimation of the sublimation enthalpy at 298.15 K through the fusion enthalpy
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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