- InChI
- InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-22(24)20-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3,(H,23,24)
- InChI Key
- FQMQTIRWQFVVLS-UHFFFAOYSA-N
- Formula
- C22H37NO
- SMILES
- CCCCCCCCCCCCCCNC(=O)Cc1ccccc1
- Molecular Weight1
- 331.54
- 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.
- 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 | 0.9862 | Relay (1.0) Calculated Property | |
| ΔfG° | 207.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.046 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Pc | 1170.42 | kPa | Joback Calculated Property |
| Inp | [2747.00; 2747.00] |
|
|
| Inp | 2747.00 | NIST | |
| Inp | 2747.00 | NIST | |
| Tboil | 641.17 | K | Relay (1.0) Calculated Property |
| Tc | 877.11 | K | Relay (1.0) Calculated Property |
| Tfus | 330.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.04; 1061.71] | 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 | -4.48660e+01 | |||
| Coefficient B | 2.06312e+00 | |||
| Coefficient C | -1.23410e-03 | |||
| Coefficient D | 2.77560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 432.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 542.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 641.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 728.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 805.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 872.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 930.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 980.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1024.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1061.71 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetamide, N-tetradecyl-.
Sources
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