- InChI
- InChI=1S/C13H19NO/c1-3-4-5-6-12-7-9-13(10-8-12)14-11(2)15/h7-10H,3-6H2,1-2H3,(H,14,15)
- InChI Key
- PAVMUEQMDWQZSZ-UHFFFAOYSA-N
- Formula
- C13H19NO
- SMILES
- CCCCCc1ccc(NC(C)=O)cc1
- Molecular Weight1
- 205.30
- CAS
- 20330-52-3
- 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 | 0.6820 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.378 | Crippen Calculated Property | |
| McVol | 181.820 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Tboil | 588.63 | K | Relay (1.0) Calculated Property |
| Tc | 814.28 | K | Relay (1.0) Calculated Property |
| Tfus | 335.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.96; 550.24] | J/mol×K | [632.54; 838.46] | 
|
| Cp,gas | 469.96 | J/mol×K | 632.54 | Joback Calculated Property |
| Cp,gas | 485.49 | J/mol×K | 666.86 | Joback Calculated Property |
| Cp,gas | 500.12 | J/mol×K | 701.18 | Joback Calculated Property |
| Cp,gas | 513.87 | J/mol×K | 735.50 | Joback Calculated Property |
| Cp,gas | 526.79 | J/mol×K | 769.82 | Joback Calculated Property |
| Cp,gas | 538.90 | J/mol×K | 804.14 | Joback Calculated Property |
| Cp,gas | 550.24 | J/mol×K | 838.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Pentylacetanilide.
Sources
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