- InChI
- InChI=1S/C11H15NO/c1-8(2)11(13)12-10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,12,13)
- InChI Key
- OFKDADAPWXHGJJ-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- Cc1cccc(NC(=O)C(C)C)c1
- Molecular Weight1
- 177.24
- 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° | 102.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.590 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2847.48 | kPa | Joback Calculated Property |
| Inp | 1542.00 | NIST | |
| Tboil | 586.34 | K | Joback Calculated Property |
| Tc | 803.38 | K | Joback Calculated Property |
| Tfus | 340.26 | K | Joback Calculated Property |
| Vc | 0.579 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.15; 446.44] | J/mol×K | [586.34; 803.38] | 
|
| Cp,gas | 371.15 | J/mol×K | 586.34 | Joback Calculated Property |
| Cp,gas | 385.85 | J/mol×K | 622.51 | Joback Calculated Property |
| Cp,gas | 399.64 | J/mol×K | 658.69 | Joback Calculated Property |
| Cp,gas | 412.56 | J/mol×K | 694.86 | Joback Calculated Property |
| Cp,gas | 424.64 | J/mol×K | 731.03 | Joback Calculated Property |
| Cp,gas | 435.93 | J/mol×K | 767.21 | Joback Calculated Property |
| Cp,gas | 446.44 | J/mol×K | 803.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-methylphenyl)-2-methyl-.
Sources
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