- InChI
- InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
- InChI Key
- DYRDKSSFIWVSNM-UHFFFAOYSA-N
- Formula
- C10H11NO2
- SMILES
- CC(=O)CC(=O)Nc1ccccc1
- Molecular Weight1
- 177.20
- CAS
- 102-01-2
- Other Names
-
- Acetoacetamidobenzene
- Acetoacetanilide
- Acetoacetic acid anilide
- Acetoacetic anilide
- [(Acetoacetyl)amino]benzene
- Acetoacetylaniline
- «alpha»-Acetylacetanilide
- N-(Acetylacetyl)aniline
- «alpha»-Acetyl-N-phenylacetamide
- «beta»-Ketobutyranilide
- 3-Oxo-N-phenylbutanamide
- N-Phenylacetoacetamide
- 1-(Phenylcarbamoyl)-2-propanone
- Acetanilide, 2-acetyl-
- Acetylacetanilide
- USAF EK-1239
- AAN
- Acetoacetanilid
- Anilid kyseliny acetoctove
- Acetoacetonilide
- NSC 2656
- 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).
- 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 | 0.5734 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.604 | Crippen Calculated Property | |
| McVol | 141.120 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Tboil | 570.29 | K | Relay (1.0) Calculated Property |
| Tc | 825.93 | K | Relay (1.0) Calculated Property |
| Tfus | 373.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.59; 401.86] | J/mol×K | [612.79; 835.48] | 
|
| Cp,gas | 339.59 | J/mol×K | 612.79 | Joback Calculated Property |
| Cp,gas | 352.03 | J/mol×K | 649.91 | Joback Calculated Property |
| Cp,gas | 363.59 | J/mol×K | 687.02 | Joback Calculated Property |
| Cp,gas | 374.32 | J/mol×K | 724.14 | Joback Calculated Property |
| Cp,gas | 384.24 | J/mol×K | 761.25 | Joback Calculated Property |
| Cp,gas | 393.41 | J/mol×K | 798.37 | Joback Calculated Property |
| Cp,gas | 401.86 | J/mol×K | 835.48 | Joback Calculated Property |
Similar Compounds
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)
Find more compounds similar to Butanamide, 3-oxo-N-phenyl-.
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