- InChI
- InChI=1S/C22H37NO/c1-3-5-7-9-14-18-23(19-15-10-8-6-4-2)22(24)20-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3
- InChI Key
- ZIXGLHJSSRGQES-UHFFFAOYSA-N
- Formula
- C22H37NO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)Cc1ccccc
1 - 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 | 0.9244 | Relay (1.0) Calculated Property | |
| ΔfG° | 228.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.999 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Pc | 1158.50 | kPa | Joback Calculated Property |
| Inp | [2470.00; 2470.00] |
|
|
| Inp | 2470.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Tboil | 641.93 | K | Relay (1.0) Calculated Property |
| Tc | 851.97 | K | Relay (1.0) Calculated Property |
| Tfus | 295.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.153 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.36; 1062.85] | 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 | -5.43470e+01 | |||
| Coefficient B | 2.11084e+00 | |||
| Coefficient C | -1.29810e-03 | |||
| Coefficient D | 3.04460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 431.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 543.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 730.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 807.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 874.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 932.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 982.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1025.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1062.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetamide, N,N-diheptyl-.
Sources
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