- InChI
- InChI=1S/C13H19NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
- InChI Key
- SEZMMTPBSLASLA-UHFFFAOYSA-N
- Formula
- C13H19NO
- SMILES
- CCN(CC)C(=O)CCc1ccccc1
- Molecular Weight1
- 205.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 152.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 181.820 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Inp | [1918.00; 1918.00] |
|
|
| Inp | 1918.00 | NIST | |
| Inp | 1918.00 | NIST | |
| Tboil | 589.83 | K | Joback Calculated Property |
| Tc | 792.02 | K | Joback Calculated Property |
| Tfus | 345.09 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.79; 539.37] | J/mol×K | [589.83; 792.02] |
|
| Cp,gas | 453.79 | J/mol×K | 589.83 | Joback Calculated Property |
| Cp,gas | 470.40 | J/mol×K | 623.53 | Joback Calculated Property |
| Cp,gas | 486.00 | J/mol×K | 657.23 | Joback Calculated Property |
| Cp,gas | 500.66 | J/mol×K | 690.93 | Joback Calculated Property |
| Cp,gas | 514.41 | J/mol×K | 724.62 | Joback Calculated Property |
| Cp,gas | 527.30 | J/mol×K | 758.32 | Joback Calculated Property |
| Cp,gas | 539.37 | J/mol×K | 792.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N,N-diethyl-.
Sources
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