- InChI
- InChI=1S/C15H19F8NO4/c1-2-3-4-5-6-7-10(25)24(8-11(26)28-9-13(16,17)18)12(27)14(19,20)15(21,22)23/h2-9H2,1H3
- InChI Key
- QNTQAXCHJZLGLX-UHFFFAOYSA-N
- Formula
- C15H19F8NO4
- SMILES
-
CCCCCCCC(=O)N(CC(=O)OCC(F)(F)F
)C(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 429.30
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.8721 | Relay (1.0) Calculated Property | |
| ΔfG° | -1855.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2553.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.005 | Crippen Calculated Property | |
| McVol | 256.930 | ml/mol | McGowan Calculated Property |
| Pc | 1283.75 | kPa | Joback Calculated Property |
| Inp | [1470.00; 1470.00] |
|
|
| Inp | 1470.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Tboil | 533.60 | K | Relay (1.0) Calculated Property |
| Tc | 689.71 | K | Relay (1.0) Calculated Property |
| Tfus | 317.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.25; 845.90] | J/mol×K | [723.54; 889.82] |
|
| Cp,gas | 780.25 | J/mol×K | 723.54 | Joback Calculated Property |
| Cp,gas | 793.03 | J/mol×K | 751.25 | Joback Calculated Property |
| Cp,gas | 805.00 | J/mol×K | 778.97 | Joback Calculated Property |
| Cp,gas | 816.23 | J/mol×K | 806.68 | Joback Calculated Property |
| Cp,gas | 826.76 | J/mol×K | 834.39 | Joback Calculated Property |
| Cp,gas | 836.63 | J/mol×K | 862.10 | Joback Calculated Property |
| Cp,gas | 845.90 | J/mol×K | 889.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to octanoyl glycine, PFP-TFE.
Sources
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