- InChI
- InChI=1S/C8H10F5NO3/c1-2-17-5(15)3-4-14-6(16)7(9,10)8(11,12)13/h2-4H2,1H3,(H,14,16)
- InChI Key
- CKXSZRHWOWOWNM-UHFFFAOYSA-N
- Formula
- C8H10F5NO3
- SMILES
-
CCOC(=O)CCNC(=O)C(F)(F)C(F)(F)
F - Molecular Weight1
- 263.16
- 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 | 0.5815 | Relay (1.0) Calculated Property | |
| ΔfG° | -1225.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1685.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.253 | Crippen Calculated Property | |
| McVol | 151.420 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | 886.00 | NIST | |
| Tboil | 458.34 | K | Relay (1.0) Calculated Property |
| Tc | 600.64 | K | Relay (1.0) Calculated Property |
| Tfus | 293.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.554 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.64; 448.63] | J/mol×K | [552.66; 719.44] | 
|
| Cp,gas | 393.64 | J/mol×K | 552.66 | Joback Calculated Property |
| Cp,gas | 404.27 | J/mol×K | 580.46 | Joback Calculated Property |
| Cp,gas | 414.28 | J/mol×K | 608.25 | Joback Calculated Property |
| Cp,gas | 423.70 | J/mol×K | 636.05 | Joback Calculated Property |
| Cp,gas | 432.54 | J/mol×K | 663.84 | Joback Calculated Property |
| Cp,gas | 440.85 | J/mol×K | 691.64 | Joback Calculated Property |
| Cp,gas | 448.63 | J/mol×K | 719.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, n-pentafluoropropionyl-, ethyl ester.
Sources
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