- InChI
- InChI=1S/C20H29NO7/c1-3-4-5-6-7-13-27-19(22)9-8-10-20(23)28-15-16-11-12-18(26-2)17(14-16)21(24)25/h11-12,14H,3-10,13,15H2,1-2H3
- InChI Key
- DLFJFNSVJIJXPA-UHFFFAOYSA-N
- Formula
- C20H29NO7
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)OCc1ccc(O
C)c([N+](=O)[O-])c1 - Molecular Weight1
- 395.45
- 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° | -326.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.87 | Crippen Calculated Property | |
| logPoct/wat | 4.330 | Crippen Calculated Property | |
| McVol | 307.070 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | 3044.00 | NIST | |
| Tboil | 1020.48 | K | Joback Calculated Property |
| Tc | 1250.53 | K | Joback Calculated Property |
| Tfus | 676.78 | K | Joback Calculated Property |
| Vc | 1.196 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.05; 1057.73] | J/mol×K | [1020.48; 1250.53] | 
|
| Cp,gas | 1013.05 | J/mol×K | 1020.48 | Joback Calculated Property |
| Cp,gas | 1024.45 | J/mol×K | 1058.82 | Joback Calculated Property |
| Cp,gas | 1034.24 | J/mol×K | 1097.16 | Joback Calculated Property |
| Cp,gas | 1042.45 | J/mol×K | 1135.50 | Joback Calculated Property |
| Cp,gas | 1049.10 | J/mol×K | 1173.85 | Joback Calculated Property |
| Cp,gas | 1054.19 | J/mol×K | 1212.19 | Joback Calculated Property |
| Cp,gas | 1057.73 | J/mol×K | 1250.53 | Joback Calculated Property |
Similar Compounds
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Sources
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