- InChI
- InChI=1S/C20H35NO4/c1-3-5-7-8-9-10-13-17-24-18(22)20(14-11-12-15-20)21-19(23)25-16-6-4-2/h4H,2-3,5-17H2,1H3,(H,21,23)
- InChI Key
- GYSHNXWHPOFKLT-UHFFFAOYSA-N
- Formula
- C20H35NO4
- SMILES
-
C=CCCOC(O)=NC1(C(=O)OCCCCCCCCC
)CCCC1 - Molecular Weight1
- 353.50
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 1.0743 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -910.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.100 | Crippen Calculated Property | |
| McVol | 302.360 | ml/mol | McGowan Calculated Property |
| Pc | 1231.15 | kPa | Joback Calculated Property |
| Inp | 2369.00 | NIST | |
| Tboil | 648.92 | K | Relay (1.0) Calculated Property |
| Tc | 852.64 | K | Relay (1.0) Calculated Property |
| Tfus | 323.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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