- InChI
- InChI=1S/C17H31NO5/c1-3-4-5-6-9-12-22-15(19)17(10-7-8-11-17)18-16(20)23-14-13-21-2/h3-14H2,1-2H3,(H,18,20)
- InChI Key
- WQVKUDFVNODZLQ-UHFFFAOYSA-N
- Formula
- C17H31NO5
- SMILES
-
CCCCCCCOC(=O)C1(N=C(O)OCCOC)CC
CC1 - Molecular Weight1
- 329.43
- 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 | 1.0419 | Relay (... Calculated Property | |
| ΔfG° | -346.37 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1055.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.27 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -3.38 | Relay (... Calculated Property | |
| logPoct/wat | 3.390 | Crippen Calculated Property | |
| McVol | 270.260 | ml/mol | McGowan Calculated Property |
| Pc | 1455.68 | kPa | Joback Calculated Property |
| Inp | 2218.00 | NIST | |
| Tboil | 622.58 | K | Relay (... Calculated Property |
| Tc | 830.69 | K | Relay (... Calculated Property |
| Tfus | 330.00 | K | Relay (... Calculated Property |
| Vc | 0.979 | m3/kmol | Relay (... 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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