- InChI
- InChI=1S/C17H27NO/c1-4-5-12-18(13-11-15(2)3)17(19)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3
- InChI Key
- ZBVGZBCISIESDP-UHFFFAOYSA-N
- Formula
- C17H27NO
- SMILES
- CCCCN(CCC(C)C)C(=O)Cc1ccccc1
- Molecular Weight1
- 261.40
- 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 | 0.6888 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Pc | 1665.97 | kPa | Joback Calculated Property |
| Inp | [2433.00; 2433.00] |
|
|
| Inp | 2433.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Tboil | 602.68 | K | Relay (1.0) Calculated Property |
| Tc | 799.44 | K | Relay (1.0) Calculated Property |
| Tfus | 280.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.36; 761.43] | J/mol×K | [680.91; 876.64] |
|
| Cp,gas | 666.36 | J/mol×K | 680.91 | Joback Calculated Property |
| Cp,gas | 684.73 | J/mol×K | 713.53 | Joback Calculated Property |
| Cp,gas | 702.02 | J/mol×K | 746.15 | Joback Calculated Property |
| Cp,gas | 718.28 | J/mol×K | 778.78 | Joback Calculated Property |
| Cp,gas | 733.57 | J/mol×K | 811.40 | Joback Calculated Property |
| Cp,gas | 747.93 | J/mol×K | 844.02 | Joback Calculated Property |
| Cp,gas | 761.43 | J/mol×K | 876.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2-phenyl-N-butyl-N-3-methylbutyl-.
Sources
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