- InChI
- InChI=1S/C13H17NO/c1-14(12-9-5-6-10-12)13(15)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
- InChI Key
- WCCLGXCDZIRGLF-UHFFFAOYSA-N
- Formula
- C13H17NO
- SMILES
- CN(C(=O)c1ccccc1)C1CCCC1
- Molecular Weight1
- 203.28
- 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.
- I : 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 | 0.4979 | Relay (1.0) Calculated Property | |
| ΔfG° | 189.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 170.960 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | [1785.96; 1823.58] |
|
|
| Inp | 1785.96 | NIST | |
| Inp | 1797.22 | NIST | |
| Inp | 1812.07 | NIST | |
| Inp | 1823.58 | NIST | |
| Inp | 1785.96 | NIST | |
| I | [2763.70; 2786.20] |
|
|
| I | 2763.70 | NIST | |
| I | 2775.16 | NIST | |
| I | 2786.20 | NIST | |
| I | 2763.70 | NIST | |
| Tboil | 594.53 | K | Relay (1.0) Calculated Property |
| Tc | 815.60 | K | Relay (1.0) Calculated Property |
| Tfus | 297.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.74; 537.85] | J/mol×K | [605.11; 836.75] |
|
| Cp,gas | 442.74 | J/mol×K | 605.11 | Joback Calculated Property |
| Cp,gas | 461.89 | J/mol×K | 643.72 | Joback Calculated Property |
| Cp,gas | 479.61 | J/mol×K | 682.32 | Joback Calculated Property |
| Cp,gas | 495.98 | J/mol×K | 720.93 | Joback Calculated Property |
| Cp,gas | 511.09 | J/mol×K | 759.53 | Joback Calculated Property |
| Cp,gas | 525.02 | J/mol×K | 798.14 | Joback Calculated Property |
| Cp,gas | 537.85 | J/mol×K | 836.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-cyclopentyl-N-methyl-benzamide.
Sources
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