- InChI
- InChI=1S/C19H31NO/c1-4-7-11-17(5-2)16-20(6-3)19(21)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3
- InChI Key
- XEZGYKHWNSVGGH-UHFFFAOYSA-N
- Formula
- C19H31NO
- SMILES
- CCCCC(CC)CN(CC)C(=O)CCc1ccccc1
- 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 | 0.7474 | Relay (1.0) Calculated Property | |
| ΔfG° | 200.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.684 | Crippen Calculated Property | |
| McVol | 266.360 | ml/mol | McGowan Calculated Property |
| Pc | 1432.63 | kPa | Joback Calculated Property |
| Inp | [2272.00; 2272.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Tboil | 614.59 | K | Relay (1.0) Calculated Property |
| Tc | 823.84 | K | Relay (1.0) Calculated Property |
| Tfus | 255.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.962 | 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 Propanamide, 3-phenyl-N-ethyl-N-2-ethylhexyl-.
Sources
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