- InChI
- InChI=1S/C13H20F5NO3/c1-2-3-4-5-6-9-22-10(20)7-8-19-11(21)12(14,15)13(16,17)18/h2-9H2,1H3,(H,19,21)
- InChI Key
- WKDQUYFPTJNDAN-UHFFFAOYSA-N
- Formula
- C13H20F5NO3
- SMILES
-
CCCCCCCOC(=O)CCNC(=O)C(F)(F)C(
F)(F)F - Molecular Weight1
- 333.29
- 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 | 0.7830 | Relay (1.0) Calculated Property | |
| ΔfG° | -1183.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1790.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.204 | Crippen Calculated Property | |
| McVol | 221.870 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | 1572.00 | NIST | |
| Tboil | 524.95 | K | Relay (1.0) Calculated Property |
| Tc | 665.13 | K | Relay (1.0) Calculated Property |
| Tfus | 292.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [642.47; 712.30] | J/mol×K | [667.06; 832.86] | 
|
| Cp,gas | 642.47 | J/mol×K | 667.06 | Joback Calculated Property |
| Cp,gas | 655.84 | J/mol×K | 694.69 | Joback Calculated Property |
| Cp,gas | 668.48 | J/mol×K | 722.33 | Joback Calculated Property |
| Cp,gas | 680.41 | J/mol×K | 749.96 | Joback Calculated Property |
| Cp,gas | 691.67 | J/mol×K | 777.59 | Joback Calculated Property |
| Cp,gas | 702.29 | J/mol×K | 805.22 | Joback Calculated Property |
| Cp,gas | 712.30 | J/mol×K | 832.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, n-pentafluoropropionyl-, heptyl ester.
Sources
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