- InChI
- InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-26(28)24-25-21-18-17-19-22-25/h17-19,21-22H,2-16,20,23-24H2,1H3,(H,27,28)
- InChI Key
- PMNNKCGDKSIBLA-UHFFFAOYSA-N
- Formula
- C26H45NO
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=O)Cc1ccc
cc1 - Molecular Weight1
- 387.64
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 240.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.93 | kJ/mol | Joback Calculated Property |
| log10WS | -8.77 | Crippen Calculated Property | |
| logPoct/wat | 7.607 | Crippen Calculated Property | |
| McVol | 364.990 | ml/mol | McGowan Calculated Property |
| Pc | 914.39 | kPa | Joback Calculated Property |
| Inp | [3168.00; 3168.00] |
|
|
| Inp | 3168.00 | NIST | |
| Inp | 3168.00 | NIST | |
| Tboil | 925.00 | K | Joback Calculated Property |
| Tc | 1132.50 | K | Joback Calculated Property |
| Tfus | 511.79 | K | Joback Calculated Property |
| Vc | 1.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1226.62; 1328.74] | J/mol×K | [925.00; 1132.50] |
|
| Cp,gas | 1226.62 | J/mol×K | 925.00 | Joback Calculated Property |
| Cp,gas | 1246.46 | J/mol×K | 959.58 | Joback Calculated Property |
| Cp,gas | 1265.06 | J/mol×K | 994.17 | Joback Calculated Property |
| Cp,gas | 1282.50 | J/mol×K | 1028.75 | Joback Calculated Property |
| Cp,gas | 1298.88 | J/mol×K | 1063.33 | Joback Calculated Property |
| Cp,gas | 1314.26 | J/mol×K | 1097.92 | Joback Calculated Property |
| Cp,gas | 1328.74 | J/mol×K | 1132.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetamide, N-octadecyl-.
Sources
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