- InChI
- InChI=1S/C16H18F5NO3/c1-24-11(23)7-5-3-2-4-6-8-22-25-9-10-12(17)14(19)16(21)15(20)13(10)18/h8H,2-7,9H2,1H3
- InChI Key
- XKDMMMKQMCRDJS-UHFFFAOYSA-N
- Formula
- C16H18F5NO3
- SMILES
-
COC(=O)CCCCCCC=NOCc1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 367.31
- 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 | 0.9191 | Relay (1.0) Calculated Property | |
| ΔfG° | -819.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1179.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.398 | Crippen Calculated Property | |
| McVol | 240.380 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Inp | 1963.00 | NIST | |
| Tboil | 576.98 | K | Relay (1.0) Calculated Property |
| Tc | 769.29 | K | Relay (1.0) Calculated Property |
| Tfus | 341.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.895 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![N-Tridecanal oxime, o-[(pentafluorophenyl)methyl]-.](data:image/png;base64,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)
Find more compounds similar to 8-Oxaoctanoic acid, PFBO, methyl ester.
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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