- InChI
- InChI=1S/C9H12F5NO3/c1-2-5-18-6(16)3-4-15-7(17)8(10,11)9(12,13)14/h2-5H2,1H3,(H,15,17)
- InChI Key
- ZAVDUJUNBMRPLS-UHFFFAOYSA-N
- Formula
- C9H12F5NO3
- SMILES
-
CCCOC(=O)CCNC(=O)C(F)(F)C(F)(F
)F - Molecular Weight1
- 277.19
- 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 | 0.6300 | Relay (1.0) Calculated Property | |
| ΔfG° | -1216.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1707.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.643 | Crippen Calculated Property | |
| McVol | 165.510 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Inp | 1202.00 | NIST | |
| Tboil | 474.11 | K | Relay (1.0) Calculated Property |
| Tc | 608.89 | K | Relay (1.0) Calculated Property |
| Tfus | 284.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.45; 498.94] | J/mol×K | [575.54; 741.52] | 
|
| Cp,gas | 440.45 | J/mol×K | 575.54 | Joback Calculated Property |
| Cp,gas | 451.72 | J/mol×K | 603.20 | Joback Calculated Property |
| Cp,gas | 462.35 | J/mol×K | 630.87 | Joback Calculated Property |
| Cp,gas | 472.35 | J/mol×K | 658.53 | Joback Calculated Property |
| Cp,gas | 481.77 | J/mol×K | 686.19 | Joback Calculated Property |
| Cp,gas | 490.62 | J/mol×K | 713.86 | Joback Calculated Property |
| Cp,gas | 498.94 | J/mol×K | 741.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, n-pentafluoropropionyl-, propyl ester.
Sources
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