- InChI
- InChI=1S/C23H35NO6/c1-3-4-5-6-7-8-9-10-16-29-22(25)12-11-13-23(26)30-18-20-14-15-21(24(27)28)19(2)17-20/h14-15,17H,3-13,16,18H2,1-2H3
- InChI Key
- QUNPNEUILABRSF-UHFFFAOYSA-N
- Formula
- C23H35NO6
- SMILES
-
CCCCCCCCCCOC(=O)CCCC(=O)OCc1cc
c([N+](=O)[O-])c(C)c1 - Molecular Weight1
- 421.53
- 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° | -196.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.30 | kJ/mol | Joback Calculated Property |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 5.801 | Crippen Calculated Property | |
| McVol | 343.470 | ml/mol | McGowan Calculated Property |
| Pc | 1095.72 | kPa | Joback Calculated Property |
| Inp | 3609.00 | NIST | |
| Tboil | 1066.70 | K | Joback Calculated Property |
| Tc | 1306.18 | K | Joback Calculated Property |
| Tfus | 688.36 | K | Joback Calculated Property |
| Vc | 1.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1167.63; 1220.61] | J/mol×K | [1066.70; 1306.18] | 
|
| Cp,gas | 1167.63 | J/mol×K | 1066.70 | Joback Calculated Property |
| Cp,gas | 1180.37 | J/mol×K | 1106.61 | Joback Calculated Property |
| Cp,gas | 1191.47 | J/mol×K | 1146.53 | Joback Calculated Property |
| Cp,gas | 1201.00 | J/mol×K | 1186.44 | Joback Calculated Property |
| Cp,gas | 1209.00 | J/mol×K | 1226.35 | Joback Calculated Property |
| Cp,gas | 1215.52 | J/mol×K | 1266.27 | Joback Calculated Property |
| Cp,gas | 1220.61 | J/mol×K | 1306.18 | Joback Calculated Property |
Similar Compounds
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Sources
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