- InChI
- InChI=1S/C14H21NO/c1-4-6-10-14(16)15(5-2)13-9-7-8-12(3)11-13/h7-9,11H,4-6,10H2,1-3H3
- InChI Key
- YKUGOIXXMWLCFL-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CCCCC(=O)N(CC)c1cccc(C)c1
- Molecular Weight1
- 219.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -237.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.538 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Inp | [1631.00; 1631.00] |
|
|
| Inp | 1631.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Tboil | 576.23 | K | Relay (1.0) Calculated Property |
| Tfus | 296.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.20; 647.08] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.27760e+01 | |||
| Coefficient B | 1.29136e+00 | |||
| Coefficient C | -7.95860e-04 | |||
| Coefficient D | 1.84360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 264.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 393.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 446.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 493.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 533.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 568.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 599.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 624.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 647.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-ethyl-N-(3-methylphenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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