- InChI
- InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-17-28-21(24)11-10-12-22(25)29-18-19-13-15-20(16-14-19)23(26)27/h13-16H,2-12,17-18H2,1H3
- InChI Key
- ZRHHZDBZISNFGG-UHFFFAOYSA-N
- Formula
- C22H33NO6
- SMILES
-
CCCCCCCCCCOC(=O)CCCC(=O)OCc1cc
c([N+](=O)[O-])cc1 - Molecular Weight1
- 407.50
- 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° | -195.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.41 | kJ/mol | Joback Calculated Property |
| log10WS | -7.01 | Crippen Calculated Property | |
| logPoct/wat | 5.492 | Crippen Calculated Property | |
| McVol | 329.380 | ml/mol | McGowan Calculated Property |
| Pc | 1180.90 | kPa | Joback Calculated Property |
| Inp | 3167.00 | NIST | |
| Tboil | 1038.84 | K | Joback Calculated Property |
| Tc | 1271.93 | K | Joback Calculated Property |
| Tfus | 664.57 | K | Joback Calculated Property |
| Vc | 1.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.40; 1164.06] | J/mol×K | [1038.84; 1271.93] | 
|
| Cp,gas | 1108.40 | J/mol×K | 1038.84 | Joback Calculated Property |
| Cp,gas | 1121.22 | J/mol×K | 1077.69 | Joback Calculated Property |
| Cp,gas | 1132.57 | J/mol×K | 1116.54 | Joback Calculated Property |
| Cp,gas | 1142.47 | J/mol×K | 1155.39 | Joback Calculated Property |
| Cp,gas | 1150.99 | J/mol×K | 1194.23 | Joback Calculated Property |
| Cp,gas | 1158.17 | J/mol×K | 1233.08 | Joback Calculated Property |
| Cp,gas | 1164.06 | J/mol×K | 1271.93 | Joback Calculated Property |
Similar Compounds
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Sources
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