- InChI
- InChI=1S/C14H13NO/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12H,11H2
- InChI Key
- CEIHCMMUIHDOQQ-UHFFFAOYSA-N
- Formula
- C14H13NO
- SMILES
- O=CN(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 211.26
- CAS
- 16350-99-5
- 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 | 0.5539 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.850 | Crippen Calculated Property | |
| McVol | 172.150 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Tboil | 616.49 | K | Relay (1.0) Calculated Property |
| Tc | 893.55 | K | Relay (1.0) Calculated Property |
| Tfus | 315.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.61; 505.66] | J/mol×K | [634.18; 871.27] | 
|
| Cp,gas | 428.61 | J/mol×K | 634.18 | Joback Calculated Property |
| Cp,gas | 444.41 | J/mol×K | 673.69 | Joback Calculated Property |
| Cp,gas | 458.91 | J/mol×K | 713.21 | Joback Calculated Property |
| Cp,gas | 472.19 | J/mol×K | 752.72 | Joback Calculated Property |
| Cp,gas | 484.35 | J/mol×K | 792.24 | Joback Calculated Property |
| Cp,gas | 495.48 | J/mol×K | 831.75 | Joback Calculated Property |
| Cp,gas | 505.66 | J/mol×K | 871.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formanilide, n-benzyl-.
Sources
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