- InChI
- InChI=1S/C23H35NO7/c1-3-4-5-6-7-8-9-10-16-30-22(25)12-11-13-23(26)31-18-19-14-15-21(29-2)20(17-19)24(27)28/h14-15,17H,3-13,16,18H2,1-2H3
- InChI Key
- FACUUPNQCYIBNU-UHFFFAOYSA-N
- Formula
- C23H35NO7
- SMILES
-
CCCCCCCCCCOC(=O)CCCC(=O)OCc1cc
c(OC)c([N+](=O)[O-])c1 - Molecular Weight1
- 437.53
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2653 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1006.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.501 | Crippen Calculated Property | |
| McVol | 349.340 | ml/mol | McGowan Calculated Property |
| Pc | 1083.49 | kPa | Joback Calculated Property |
| Inp | 3355.00 | NIST | |
| Tboil | 692.52 | K | Relay (1.0) Calculated Property |
| Tc | 925.06 | K | Relay (1.0) Calculated Property |
| Tfus | 318.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.289 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1192.53; 1232.00] | J/mol×K | [1089.12; 1334.76] | 
|
| Cp,gas | 1192.53 | J/mol×K | 1089.12 | Joback Calculated Property |
| Cp,gas | 1203.83 | J/mol×K | 1130.06 | Joback Calculated Property |
| Cp,gas | 1213.21 | J/mol×K | 1171.00 | Joback Calculated Property |
| Cp,gas | 1220.68 | J/mol×K | 1211.94 | Joback Calculated Property |
| Cp,gas | 1226.28 | J/mol×K | 1252.88 | Joback Calculated Property |
| Cp,gas | 1230.04 | J/mol×K | 1293.82 | Joback Calculated Property |
| Cp,gas | 1232.00 | J/mol×K | 1334.76 | Joback Calculated Property |
Similar Compounds
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Sources
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