- InChI
- InChI=1S/C14H14F5NO/c1-3-4-8(2)5-6-20-21-7-9-10(15)12(17)14(19)13(18)11(9)16/h4,6H,3,5,7H2,1-2H3/b8-4-,20-6?
- InChI Key
- XTHCNSDNHMWGLJ-PHPVGLLJSA-N
- Formula
- C14H14F5NO
- SMILES
-
CCC=C(C)CC=NOCc1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 307.26
- 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 | 0.6541 | Relay (... Calculated Property | |
| ΔfG° | -554.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -726.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 69.34 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -6.08 | Relay (... Calculated Property | |
| logPoct/wat | 4.631 | Crippen Calculated Property | |
| McVol | 200.460 | ml/mol | McGowan Calculated Property |
| Pc | 1483.85 | kPa | Joback Calculated Property |
| Inp | [1457.00; 1457.00] |
|
|
| Inp | 1457.00 | NIST | |
| Inp | 1457.00 | NIST | |
| Tboil | 522.06 | K | Relay (... Calculated Property |
| Tc | 713.13 | K | Relay (... Calculated Property |
| Tfus | 294.12 | K | Relay (... Calculated Property |
| Vc | 0.723 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
![6-Methyl-5-hepten-2-one oxime, o-[(pentafluorophenyl)methyl]-.](data:image/png;base64,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)
Find more compounds similar to (Z)-3-Methylhexanal, PFBO # 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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