- InChI
- InChI=1S/C13H18F7NO3/c1-2-3-4-5-8-24-9(22)6-7-21-10(23)11(14,15)12(16,17)13(18,19)20/h2-8H2,1H3,(H,21,23)
- InChI Key
- HOGAAYZDAGRTRS-UHFFFAOYSA-N
- Formula
- C13H18F7NO3
- SMILES
-
CCCCCCOC(=O)CCNC(=O)C(F)(F)C(F
)(F)C(F)(F)F - Molecular Weight1
- 369.28
- 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 | 0.7806 | Relay (1.0) Calculated Property | |
| ΔfG° | -1570.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2180.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.449 | Crippen Calculated Property | |
| McVol | 225.410 | ml/mol | McGowan Calculated Property |
| Pc | 1477.02 | kPa | Joback Calculated Property |
| Inp | 1511.00 | NIST | |
| Tboil | 521.48 | K | Relay (1.0) Calculated Property |
| Tc | 655.78 | K | Relay (1.0) Calculated Property |
| Tfus | 276.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.18; 727.72] | J/mol×K | [662.37; 824.51] | 
|
| Cp,gas | 661.18 | J/mol×K | 662.37 | Joback Calculated Property |
| Cp,gas | 674.03 | J/mol×K | 689.39 | Joback Calculated Property |
| Cp,gas | 686.12 | J/mol×K | 716.42 | Joback Calculated Property |
| Cp,gas | 697.50 | J/mol×K | 743.44 | Joback Calculated Property |
| Cp,gas | 708.20 | J/mol×K | 770.46 | Joback Calculated Property |
| Cp,gas | 718.26 | J/mol×K | 797.49 | Joback Calculated Property |
| Cp,gas | 727.72 | J/mol×K | 824.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, n-heptafluorobutyryl-, hexyl ester.
Sources
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