- InChI
- InChI=1S/C17H27NO/c1-3-5-6-10-15-18(4-2)17(19)14-13-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3
- InChI Key
- RPCWHFHOEMEWLG-UHFFFAOYSA-N
- Formula
- C17H27NO
- SMILES
- CCCCCCN(CC)C(=O)CCc1ccccc1
- Molecular Weight1
- 261.41
- 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 | 0.7332 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.048 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | [2172.00; 2172.00] |
|
|
| Inp | 2172.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Tboil | 599.85 | K | Relay (1.0) Calculated Property |
| Tc | 810.88 | K | Relay (1.0) Calculated Property |
| Tfus | 263.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.02; 759.75] | J/mol×K | [681.55; 874.24] |
|
| Cp,gas | 666.02 | J/mol×K | 681.55 | Joback Calculated Property |
| Cp,gas | 684.07 | J/mol×K | 713.66 | Joback Calculated Property |
| Cp,gas | 701.08 | J/mol×K | 745.78 | Joback Calculated Property |
| Cp,gas | 717.10 | J/mol×K | 777.89 | Joback Calculated Property |
| Cp,gas | 732.19 | J/mol×K | 810.01 | Joback Calculated Property |
| Cp,gas | 746.39 | J/mol×K | 842.12 | Joback Calculated Property |
| Cp,gas | 759.75 | J/mol×K | 874.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-hexyl-.
Sources
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