- InChI
- InChI=1S/C13H16F7NO3/c1-2-3-7-24-9(22)8-5-4-6-21(8)10(23)11(14,15)12(16,17)13(18,19)20/h8H,2-7H2,1H3
- InChI Key
- BNFVCWZVOYWCDS-UHFFFAOYSA-N
- Formula
- C13H16F7NO3
- SMILES
-
CCCCOC(=O)C1CCCN1C(=O)C(F)(F)C
(F)(F)C(F)(F)F - Molecular Weight1
- 367.26
- 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 | 0.6670 | Relay (... Calculated Property | |
| ΔfG° | -1594.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2091.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.96 | kJ/mol | Relay (... Calculated Property |
| IE | 9.52 | eV | Relay (... Calculated Property |
| log10WS | -4.13 | Relay (... Calculated Property | |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 214.550 | ml/mol | McGowan Calculated Property |
| Pc | 1317.74 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1508.00 | NIST | |
| Tboil | 524.82 | K | Relay (... Calculated Property |
| Tc | 669.77 | K | Relay (... Calculated Property |
| Tfus | 258.72 | K | Relay (... Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to l-Proline, n-heptafluorobutyryl-, butyl 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
- McGowan Method
- NIST Webbook
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