- InChI
- InChI=1S/C13H17NO/c1-10-5-4-8-12(9-10)14-13(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,14,15)
- InChI Key
- UKLIDCZVVSZTGM-UHFFFAOYSA-N
- Formula
- C13H17NO
- SMILES
- Cc1cccc(NC(=O)C2CCCC2)c1
- Molecular Weight1
- 203.28
- 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° | 158.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 3.124 | Crippen Calculated Property | |
| McVol | 170.960 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | 1867.00 | NIST | |
| Tboil | 647.82 | K | Joback Calculated Property |
| Tc | 882.27 | K | Joback Calculated Property |
| Tfus | 388.70 | K | Joback Calculated Property |
| Vc | 0.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.08; 547.31] | J/mol×K | [647.82; 882.27] | 
|
| Cp,gas | 459.08 | J/mol×K | 647.82 | Joback Calculated Property |
| Cp,gas | 476.80 | J/mol×K | 686.90 | Joback Calculated Property |
| Cp,gas | 493.22 | J/mol×K | 725.97 | Joback Calculated Property |
| Cp,gas | 508.42 | J/mol×K | 765.05 | Joback Calculated Property |
| Cp,gas | 522.45 | J/mol×K | 804.12 | Joback Calculated Property |
| Cp,gas | 535.39 | J/mol×K | 843.20 | Joback Calculated Property |
| Cp,gas | 547.31 | J/mol×K | 882.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxamide, N-(3-methylphenyl)-.
Sources
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