- InChI
- InChI=1S/C10H11NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h2-8H,1H3,(H,11,12)/b6-2+
- InChI Key
- BZSYYMAHNJHZCB-QHHAFSJGSA-N
- Formula
- C10H11NO
- SMILES
- CC=CC(=O)Nc1ccccc1
- Molecular Weight1
- 161.20
- CAS
- 1733-40-0
- 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 | 0.5143 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -2.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.201 | Crippen Calculated Property | |
| McVol | 135.250 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Tboil | 535.28 | K | Relay (1.0) Calculated Property |
| Tc | 797.54 | K | Relay (1.0) Calculated Property |
| Tfus | 353.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.56; 371.19] | J/mol×K | [563.08; 788.04] | 
|
| Cp,gas | 304.56 | J/mol×K | 563.08 | Joback Calculated Property |
| Cp,gas | 317.84 | J/mol×K | 600.57 | Joback Calculated Property |
| Cp,gas | 330.17 | J/mol×K | 638.07 | Joback Calculated Property |
| Cp,gas | 341.62 | J/mol×K | 675.56 | Joback Calculated Property |
| Cp,gas | 352.23 | J/mol×K | 713.05 | Joback Calculated Property |
| Cp,gas | 362.07 | J/mol×K | 750.54 | Joback Calculated Property |
| Cp,gas | 371.19 | J/mol×K | 788.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide,N-phenyl-.
Sources
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