- InChI
- InChI=1S/C28H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24-32-28(31)23-19-22-27(30)29(2)25-26-20-16-15-17-21-26/h15-17,20-21H,3-14,18-19,22-25H2,1-2H3
- InChI Key
- WVZJGIFULZWVPM-UHFFFAOYSA-N
- Formula
- C28H47NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCC(=O)N
(C)Cc1ccccc1 - Molecular Weight1
- 445.68
- 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° | 45.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.14 | kJ/mol | Joback Calculated Property |
| log10WS | -8.35 | Crippen Calculated Property | |
| logPoct/wat | 7.450 | Crippen Calculated Property | |
| McVol | 400.610 | ml/mol | McGowan Calculated Property |
| Pc | 831.46 | kPa | Joback Calculated Property |
| Inp | 3495.00 | NIST | |
| Tboil | 1009.32 | K | Joback Calculated Property |
| Tc | 1239.62 | K | Joback Calculated Property |
| Tfus | 586.30 | K | Joback Calculated Property |
| Vc | 1.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1384.87; 1480.59] | J/mol×K | [1009.32; 1239.62] | 
|
| Cp,gas | 1384.87 | J/mol×K | 1009.32 | Joback Calculated Property |
| Cp,gas | 1404.25 | J/mol×K | 1047.70 | Joback Calculated Property |
| Cp,gas | 1422.13 | J/mol×K | 1086.09 | Joback Calculated Property |
| Cp,gas | 1438.59 | J/mol×K | 1124.47 | Joback Calculated Property |
| Cp,gas | 1453.75 | J/mol×K | 1162.86 | Joback Calculated Property |
| Cp,gas | 1467.72 | J/mol×K | 1201.24 | Joback Calculated Property |
| Cp,gas | 1480.59 | J/mol×K | 1239.62 | Joback Calculated Property |
Similar Compounds
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Sources
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