- InChI
- InChI=1S/C19H27NO6/c1-3-4-5-6-12-25-18(21)8-7-9-19(22)26-14-16-10-11-17(20(23)24)15(2)13-16/h10-11,13H,3-9,12,14H2,1-2H3
- InChI Key
- SYUKQJJHSJZNCC-UHFFFAOYSA-N
- Formula
- C19H27NO6
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1ccc([N
+](=O)[O-])c(C)c1 - Molecular Weight1
- 365.42
- 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° | -230.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.39 | kJ/mol | Joback Calculated Property |
| log10WS | -5.81 | Crippen Calculated Property | |
| logPoct/wat | 4.240 | Crippen Calculated Property | |
| McVol | 287.110 | ml/mol | McGowan Calculated Property |
| Pc | 1438.07 | kPa | Joback Calculated Property |
| Inp | 3187.00 | NIST | |
| Tboil | 975.18 | K | Joback Calculated Property |
| Tc | 1199.80 | K | Joback Calculated Property |
| Tfus | 643.28 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [927.88; 982.59] | J/mol×K | [975.18; 1199.80] | 
|
| Cp,gas | 927.88 | J/mol×K | 975.18 | Joback Calculated Property |
| Cp,gas | 940.23 | J/mol×K | 1012.62 | Joback Calculated Property |
| Cp,gas | 951.26 | J/mol×K | 1050.05 | Joback Calculated Property |
| Cp,gas | 960.98 | J/mol×K | 1087.49 | Joback Calculated Property |
| Cp,gas | 969.43 | J/mol×K | 1124.93 | Joback Calculated Property |
| Cp,gas | 976.62 | J/mol×K | 1162.36 | Joback Calculated Property |
| Cp,gas | 982.59 | J/mol×K | 1199.80 | Joback Calculated Property |
Similar Compounds
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Sources
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