- InChI
- InChI=1S/C12H17NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
- InChI Key
- IYWLQMRIMWEQQC-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCCNC(=O)CCc1ccccc1
- Molecular Weight1
- 191.27
- 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 | 0.6013 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.145 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | [1728.00; 1728.00] |
|
|
| Inp | 1728.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Tboil | 550.67 | K | Relay (1.0) Calculated Property |
| Tc | 775.28 | K | Relay (1.0) Calculated Property |
| Tfus | 283.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.04; 498.21] | J/mol×K | [604.68; 812.84] |
|
| Cp,gas | 420.04 | J/mol×K | 604.68 | Joback Calculated Property |
| Cp,gas | 435.26 | J/mol×K | 639.37 | Joback Calculated Property |
| Cp,gas | 449.55 | J/mol×K | 674.07 | Joback Calculated Property |
| Cp,gas | 462.95 | J/mol×K | 708.76 | Joback Calculated Property |
| Cp,gas | 475.50 | J/mol×K | 743.46 | Joback Calculated Property |
| Cp,gas | 487.24 | J/mol×K | 778.15 | Joback Calculated Property |
| Cp,gas | 498.21 | J/mol×K | 812.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-propyl-.
Sources
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