- InChI
- InChI=1S/C24H37NO7/c1-3-4-5-6-7-8-9-10-11-17-31-23(26)13-12-14-24(27)32-19-20-15-16-22(30-2)21(18-20)25(28)29/h15-16,18H,3-14,17,19H2,1-2H3
- InChI Key
- ADIYGWSEOSEJAY-UHFFFAOYSA-N
- Formula
- C24H37NO7
- SMILES
-
CCCCCCCCCCCOC(=O)CCCC(=O)OCc1c
cc(OC)c([N+](=O)[O-])c1 - Molecular Weight1
- 451.55
- 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° | -292.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.93 | kJ/mol | Joback Calculated Property |
| log10WS | -7.54 | Crippen Calculated Property | |
| logPoct/wat | 5.891 | Crippen Calculated Property | |
| McVol | 363.430 | ml/mol | McGowan Calculated Property |
| Pc | 1018.13 | kPa | Joback Calculated Property |
| Inp | 3459.00 | NIST | |
| Tboil | 1112.00 | K | Joback Calculated Property |
| Tc | 1365.23 | K | Joback Calculated Property |
| Tfus | 721.86 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1252.91; 1289.97] | J/mol×K | [1112.00; 1365.23] | 
|
| Cp,gas | 1252.91 | J/mol×K | 1112.00 | Joback Calculated Property |
| Cp,gas | 1264.16 | J/mol×K | 1154.21 | Joback Calculated Property |
| Cp,gas | 1273.33 | J/mol×K | 1196.41 | Joback Calculated Property |
| Cp,gas | 1280.45 | J/mol×K | 1238.62 | Joback Calculated Property |
| Cp,gas | 1285.57 | J/mol×K | 1280.82 | Joback Calculated Property |
| Cp,gas | 1288.73 | J/mol×K | 1323.03 | Joback Calculated Property |
| Cp,gas | 1289.97 | J/mol×K | 1365.23 | Joback Calculated Property |
Similar Compounds
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Sources
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