- InChI
- InChI=1S/C26H41NO5/c1-4-6-8-10-12-14-24(28)27-23(26(30)31-3)20-21-16-18-22(19-17-21)32-25(29)15-13-11-9-7-5-2/h16-19,23H,4-15,20H2,1-3H3,(H,27,28)
- InChI Key
- XYBPKGZJDOTNIE-UHFFFAOYSA-N
- Formula
- C26H41NO5
- SMILES
-
CCCCCCCC(=O)NC(Cc1ccc(OC(=O)CC
CCCCC)cc1)C(=O)OC - Molecular Weight1
- 447.61
- 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).
- 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 | 1.2040 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1079.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.513 | Crippen Calculated Property | |
| McVol | 379.870 | ml/mol | McGowan Calculated Property |
| Pc | 963.27 | kPa | Joback Calculated Property |
| Tboil | 682.96 | K | Relay (1.0) Calculated Property |
| Tc | 921.16 | K | Relay (1.0) Calculated Property |
| Tfus | 341.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1314.89; 1374.15] | J/mol×K | [1082.12; 1330.76] | 
|
| Cp,gas | 1314.89 | J/mol×K | 1082.12 | Joback Calculated Property |
| Cp,gas | 1329.23 | J/mol×K | 1123.56 | Joback Calculated Property |
| Cp,gas | 1341.69 | J/mol×K | 1165.00 | Joback Calculated Property |
| Cp,gas | 1352.34 | J/mol×K | 1206.44 | Joback Calculated Property |
| Cp,gas | 1361.25 | J/mol×K | 1247.88 | Joback Calculated Property |
| Cp,gas | 1368.50 | J/mol×K | 1289.32 | Joback Calculated Property |
| Cp,gas | 1374.15 | J/mol×K | 1330.76 | Joback Calculated Property |
Similar Compounds
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Sources
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