- InChI
- InChI=1S/C12H15NO/c1-9-4-2-7-11(8-9)13-12(14)10-5-3-6-10/h2,4,7-8,10H,3,5-6H2,1H3,(H,13,14)
- InChI Key
- FAZSASKSCDHQIE-UHFFFAOYSA-N
- Formula
- C12H15NO
- SMILES
- Cc1cccc(NC(=O)C2CCC2)c1
- Molecular Weight1
- 189.25
- 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° | 162.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 2.734 | Crippen Calculated Property | |
| McVol | 156.870 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Inp | 1765.00 | NIST | |
| Tboil | 620.67 | K | Joback Calculated Property |
| Tc | 852.08 | K | Joback Calculated Property |
| Tfus | 380.95 | K | Joback Calculated Property |
| Vc | 0.590 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.39; 488.40] | J/mol×K | [620.67; 852.08] | 
|
| Cp,gas | 406.39 | J/mol×K | 620.67 | Joback Calculated Property |
| Cp,gas | 422.76 | J/mol×K | 659.24 | Joback Calculated Property |
| Cp,gas | 437.96 | J/mol×K | 697.81 | Joback Calculated Property |
| Cp,gas | 452.05 | J/mol×K | 736.37 | Joback Calculated Property |
| Cp,gas | 465.11 | J/mol×K | 774.94 | Joback Calculated Property |
| Cp,gas | 477.20 | J/mol×K | 813.51 | Joback Calculated Property |
| Cp,gas | 488.40 | J/mol×K | 852.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxamide, N-(3-methylphenyl)-.
Sources
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