- InChI
- InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-31-27(30)17-15-16-26(29)28-23-25-20-18-24(2)19-21-25/h18-21H,3-17,22-23H2,1-2H3,(H,28,29)
- InChI Key
- RWEVFGQFGDLGES-UHFFFAOYSA-N
- Formula
- C27H45NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCC(=O)NC
c1ccc(C)cc1 - Molecular Weight1
- 431.65
- 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 | 1.2164 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -840.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.026 | Crippen Calculated Property | |
| McVol | 386.520 | ml/mol | McGowan Calculated Property |
| Pc | 879.48 | kPa | Joback Calculated Property |
| Inp | 3481.00 | NIST | |
| Tboil | 708.40 | K | Relay (1.0) Calculated Property |
| Tc | 916.25 | K | Relay (1.0) Calculated Property |
| Tfus | 339.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1338.65; 1424.98] | J/mol×K | [1029.15; 1263.95] | 
|
| Cp,gas | 1338.65 | J/mol×K | 1029.15 | Joback Calculated Property |
| Cp,gas | 1356.67 | J/mol×K | 1068.28 | Joback Calculated Property |
| Cp,gas | 1373.12 | J/mol×K | 1107.42 | Joback Calculated Property |
| Cp,gas | 1388.09 | J/mol×K | 1146.55 | Joback Calculated Property |
| Cp,gas | 1401.66 | J/mol×K | 1185.68 | Joback Calculated Property |
| Cp,gas | 1413.93 | J/mol×K | 1224.81 | Joback Calculated Property |
| Cp,gas | 1424.98 | J/mol×K | 1263.95 | Joback Calculated Property |
Similar Compounds
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Sources
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