- InChI
- InChI=1S/C20H27NO/c1-2-3-4-5-6-7-10-15-21-20(22)19-14-13-17-11-8-9-12-18(17)16-19/h8-9,11-14,16H,2-7,10,15H2,1H3,(H,21,22)
- InChI Key
- GVYHGZKGDYZHFF-UHFFFAOYSA-N
- Formula
- C20H27NO
- SMILES
- CCCCCCCCCNC(=O)c1ccc2ccccc2c1
- Molecular Weight1
- 297.44
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8866 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -210.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.92 | kJ/mol | Joback Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.320 | Crippen Calculated Property | |
| McVol | 260.990 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| Inp | [2756.00; 2756.00] |
|
|
| Inp | 2756.00 | NIST | |
| Inp | 2756.00 | NIST | |
| Tboil | 678.70 | K | Relay (1.0) Calculated Property |
| Tc | 937.61 | K | Relay (1.0) Calculated Property |
| Tfus | 349.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 | [351.16; 864.71] | 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 | -6.01920e+01 | |||
| Coefficient B | 1.80992e+00 | |||
| Coefficient C | -1.19498e-03 | |||
| Coefficient D | 3.09960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 351.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 526.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 597.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 659.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 713.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 759.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 799.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 834.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 864.71 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthamide, N-nonyl-.
Sources
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