- InChI
- InChI=1S/C16H25NO/c1-4-5-11-17(13-14(2)3)16(18)12-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3
- InChI Key
- MDCSFNVSHFYXME-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCN(CC(C)C)C(=O)Cc1ccccc1
- Molecular Weight1
- 247.38
- 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 | 0.6538 | Relay (1.0) Calculated Property | |
| ΔfG° | 175.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | [2185.00; 2185.00] |
|
|
| Inp | 2185.00 | NIST | |
| Inp | 2185.00 | NIST | |
| Tboil | 589.18 | K | Relay (1.0) Calculated Property |
| Tc | 785.51 | K | Relay (1.0) Calculated Property |
| Tfus | 283.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.818 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.37; 704.94] | J/mol×K | [658.03; 855.92] |
|
| Cp,gas | 611.37 | J/mol×K | 658.03 | Joback Calculated Property |
| Cp,gas | 629.48 | J/mol×K | 691.01 | Joback Calculated Property |
| Cp,gas | 646.51 | J/mol×K | 723.99 | Joback Calculated Property |
| Cp,gas | 662.53 | J/mol×K | 756.97 | Joback Calculated Property |
| Cp,gas | 677.57 | J/mol×K | 789.95 | Joback Calculated Property |
| Cp,gas | 691.69 | J/mol×K | 822.94 | Joback Calculated Property |
| Cp,gas | 704.94 | J/mol×K | 855.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2-phenyl-N-butyl-N-isobutyl-.
Sources
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