- InChI
- InChI=1S/C28H51NO4/c1-17(2)14-24(27(30)32-25-15-20(7)10-12-22(25)18(3)4)29(9)28(31)33-26-16-21(8)11-13-23(26)19(5)6/h17-26H,10-16H2,1-9H3
- InChI Key
- MQFUNHCYZUYIBW-UHFFFAOYSA-N
- Formula
- C28H51NO4
- SMILES
-
CC(C)CC(C(=O)OC1CC(C)CCC1C(C)C
)N(C)C(=O)OC1CC(C)CCC1C(C)C - Molecular Weight1
- 465.71
- 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).
- 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° | -163.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1037.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.35 | kJ/mol | Joback Calculated Property |
| log10WS | -7.25 | Crippen Calculated Property | |
| logPoct/wat | 6.934 | Crippen Calculated Property | |
| McVol | 408.520 | ml/mol | McGowan Calculated Property |
| Pc | 813.53 | kPa | Joback Calculated Property |
| Tboil | 1023.72 | K | Joback Calculated Property |
| Tc | 1253.52 | K | Joback Calculated Property |
| Tfus | 519.91 | K | Joback Calculated Property |
| Vc | 1.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1528.76; 1603.41] | J/mol×K | [1023.72; 1253.52] | 
|
| Cp,gas | 1528.76 | J/mol×K | 1023.72 | Joback Calculated Property |
| Cp,gas | 1547.44 | J/mol×K | 1062.02 | Joback Calculated Property |
| Cp,gas | 1563.57 | J/mol×K | 1100.32 | Joback Calculated Property |
| Cp,gas | 1577.19 | J/mol×K | 1138.62 | Joback Calculated Property |
| Cp,gas | 1588.33 | J/mol×K | 1176.92 | Joback Calculated Property |
| Cp,gas | 1597.06 | J/mol×K | 1215.22 | Joback Calculated Property |
| Cp,gas | 1603.41 | J/mol×K | 1253.52 | Joback Calculated Property |
Similar Compounds
Sources
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