- InChI
- InChI=1S/C27H24F10N2O4/c1-41-17(40)10-6-4-2-3-5-8-14(39-43-13-16-20(30)24(34)27(37)25(35)21(16)31)9-7-11-38-42-12-15-18(28)22(32)26(36)23(33)19(15)29/h7,9,11H,2-6,8,10,12-13H2,1H3/b9-7+,38-11?,39-14?
- InChI Key
- ZGSYEMOJGIYNMK-HUXKIHLDSA-N
- Formula
- C27H24F10N2O4
- SMILES
-
COC(=O)CCCCCCCC(C=CC=NOCc1c(F)
c(F)c(F)c(F)c1F)=NOCc1c(F)c(F) c(F)c(F)c1F - Molecular Weight1
- 630.47
- 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 | 1.3168 | Relay (1.0) Calculated Property | |
| ΔfG° | -1375.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1806.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 131.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.613 | Crippen Calculated Property | |
| McVol | 387.710 | ml/mol | McGowan Calculated Property |
| Pc | 661.19 | kPa | Joback Calculated Property |
| Inp | [3080.00; 3080.00] |
|
|
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Tboil | 715.32 | K | Relay (1.0) Calculated Property |
| Tc | 898.23 | K | Relay (1.0) Calculated Property |
| Tfus | 413.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.394 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, bis-PFB-oxime, # 1.
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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