- InChI
- InChI=1S/C27H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-28-27(29)26-21-20-24-18-15-16-19-25(24)23-26/h15-16,18-21,23H,2-14,17,22H2,1H3,(H,28,29)
- InChI Key
- FVLRXARCOJQLJV-UHFFFAOYSA-N
- Formula
- C27H41NO
- SMILES
-
CCCCCCCCCCCCCCCCNC(=O)c1ccc2cc
ccc2c1 - Molecular Weight1
- 395.63
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.1490 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -360.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.05 | kJ/mol | Joback Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 8.051 | Crippen Calculated Property | |
| McVol | 359.620 | ml/mol | McGowan Calculated Property |
| Pc | 993.25 | kPa | Joback Calculated Property |
| Inp | [3554.00; 3554.00] |
|
|
| Inp | 3554.00 | NIST | |
| Inp | 3554.00 | NIST | |
| Tboil | 725.14 | K | Relay (1.0) Calculated Property |
| Tc | 979.70 | K | Relay (1.0) Calculated Property |
| Tfus | 354.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.351 | 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 | [499.66; 1225.85] | 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 | -6.65550e+01 | |||
| Coefficient B | 2.47492e+00 | |||
| Coefficient C | -1.57578e-03 | |||
| Coefficient D | 3.93260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 499.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 629.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 743.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 844.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 932.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1008.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1075.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1132.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1182.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1225.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthamide, N-hexadecyl-.
Sources
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