- InChI
- InChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
- InChI Key
- ZWDZJRRQSXLOQR-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCCCN(C(C)=O)c1ccccc1
- Molecular Weight1
- 191.27
- CAS
- 91-49-6
- Other Names
-
- N-butylacetanilide
- Acetamide, N-butyl-N-phenyl-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 144.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.840 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Tboil | 554.20 | K | NIST |
| Tc | 772.19 | K | Joback Calculated Property |
| Tfus | 297.60 ± 0.02 | K | NIST |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.29; 486.87] | J/mol×K | [566.95; 772.19] | 
|
| Cp,gas | 404.29 | J/mol×K | 566.95 | Joback Calculated Property |
| Cp,gas | 420.36 | J/mol×K | 601.16 | Joback Calculated Property |
| Cp,gas | 435.45 | J/mol×K | 635.36 | Joback Calculated Property |
| Cp,gas | 449.60 | J/mol×K | 669.57 | Joback Calculated Property |
| Cp,gas | 462.86 | J/mol×K | 703.78 | Joback Calculated Property |
| Cp,gas | 475.27 | J/mol×K | 737.99 | Joback Calculated Property |
| Cp,gas | 486.87 | J/mol×K | 772.19 | Joback Calculated Property |
| ΔvapH | 60.20 | kJ/mol | 548.00 | NIST |
Similar Compounds
Find more compounds similar to Acetanilide, n-butyl-.
Sources
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