- InChI
- InChI=1S/C19H31NO/c1-4-6-9-12-17(3)20(15-7-5-2)19(21)16-18-13-10-8-11-14-18/h8,10-11,13-14,17H,4-7,9,12,15-16H2,1-3H3
- InChI Key
- JLMXKLARNZPTNZ-UHFFFAOYSA-N
- Formula
- C19H31NO
- SMILES
- CCCCCC(C)N(CCCC)C(=O)Cc1ccccc1
- Molecular Weight1
- 289.46
- 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 | 0.7501 | Relay (1.0) Calculated Property | |
| ΔfG° | 200.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.827 | Crippen Calculated Property | |
| McVol | 266.360 | ml/mol | McGowan Calculated Property |
| Pc | 1432.63 | kPa | Joback Calculated Property |
| Inp | [1581.00; 1581.00] |
|
|
| Inp | 1581.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Tboil | 612.43 | K | Relay (1.0) Calculated Property |
| Tc | 823.27 | K | Relay (1.0) Calculated Property |
| Tfus | 280.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.75; 877.24] | J/mol×K | [726.67; 919.33] |
|
| Cp,gas | 779.75 | J/mol×K | 726.67 | Joback Calculated Property |
| Cp,gas | 798.54 | J/mol×K | 758.78 | Joback Calculated Property |
| Cp,gas | 816.24 | J/mol×K | 790.89 | Joback Calculated Property |
| Cp,gas | 832.91 | J/mol×K | 823.00 | Joback Calculated Property |
| Cp,gas | 848.60 | J/mol×K | 855.11 | Joback Calculated Property |
| Cp,gas | 863.36 | J/mol×K | 887.22 | Joback Calculated Property |
| Cp,gas | 877.24 | J/mol×K | 919.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2-phenyl-N-butyl-N-hept-2-yl-.
Sources
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