- InChI
- InChI=1S/C17H18F5NO2/c1-2-3-4-6-11-12(25-11)7-5-8-23-24-9-10-13(18)15(20)17(22)16(21)14(10)19/h5,7-8,11-12H,2-4,6,9H2,1H3/b7-5+,23-8+
- InChI Key
- XWSHGXHSCROHSI-JNVYPNFTSA-N
- Formula
- C17H18F5NO2
- SMILES
-
CCCCCC1OC1C=CC=NOCc1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 363.32
- 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 | 0.7901 | Relay (1.0) Calculated Property | |
| ΔfG° | -610.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -838.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.788 | Crippen Calculated Property | |
| McVol | 237.740 | ml/mol | McGowan Calculated Property |
| Pc | 1274.60 | kPa | Joback Calculated Property |
| Inp | [2074.00; 2074.00] |
|
|
| Inp | 2074.00 | NIST | |
| Inp | 2074.00 | NIST | |
| Tboil | 577.35 | K | Relay (1.0) Calculated Property |
| Tc | 767.54 | K | Relay (1.0) Calculated Property |
| Tfus | 365.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.888 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Decenal, 4,5-epoxy, PFBO.
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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