- InChI
- InChI=1S/C12H17NO/c1-10(14)13(12(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3
- InChI Key
- UGBHGSVEQNCPOY-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CC(=O)N(c1ccccc1)C(C)(C)C
- Molecular Weight1
- 191.27
- CAS
- 91562-67-3
- 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 | 0.4896 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.838 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Tboil | 537.30 | K | Relay (1.0) Calculated Property |
| Tc | 757.81 | K | Relay (1.0) Calculated Property |
| Tfus | 325.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.47; 493.20] | J/mol×K | [563.72; 781.64] | 
|
| Cp,gas | 407.47 | J/mol×K | 563.72 | Joback Calculated Property |
| Cp,gas | 424.56 | J/mol×K | 600.04 | Joback Calculated Property |
| Cp,gas | 440.44 | J/mol×K | 636.36 | Joback Calculated Property |
| Cp,gas | 455.16 | J/mol×K | 672.68 | Joback Calculated Property |
| Cp,gas | 468.82 | J/mol×K | 709.00 | Joback Calculated Property |
| Cp,gas | 481.47 | J/mol×K | 745.32 | Joback Calculated Property |
| Cp,gas | 493.20 | J/mol×K | 781.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetanilide, n-tert-butyl-.
Sources
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