- InChI
- InChI=1S/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
- InChI Key
- WDRCPKDLZOQCFU-UHFFFAOYSA-N
- Formula
- C10H13NO
- SMILES
- CC(C)C(=O)Nc1ccccc1
- Molecular Weight1
- 163.22
- CAS
- 4406-41-1
- Other Names
-
- Isobutyric acid anilide
- Propanamide, 2-methyl-N-phenyl-
- i-Butyranilide
- 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.
- 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 | 0.5096 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.281 | Crippen Calculated Property | |
| McVol | 139.550 | ml/mol | McGowan Calculated Property |
| Pc | 3217.33 | kPa | Joback Calculated Property |
| Inp | 1484.00 | NIST | |
| Tboil | 522.95 | K | Relay (1.0) Calculated Property |
| Tc | 765.39 | K | Relay (1.0) Calculated Property |
| Tfus | 332.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.29; 396.68] | J/mol×K | [558.48; 778.35] | 
|
| Cp,gas | 324.29 | J/mol×K | 558.48 | Joback Calculated Property |
| Cp,gas | 338.54 | J/mol×K | 595.12 | Joback Calculated Property |
| Cp,gas | 351.86 | J/mol×K | 631.77 | Joback Calculated Property |
| Cp,gas | 364.30 | J/mol×K | 668.41 | Joback Calculated Property |
| Cp,gas | 375.89 | J/mol×K | 705.06 | Joback Calculated Property |
| Cp,gas | 386.67 | J/mol×K | 741.70 | Joback Calculated Property |
| Cp,gas | 396.68 | J/mol×K | 778.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isobutyranilide.
Sources
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