- InChI
- InChI=1S/C15H16F3NO5/c1-8(20)11-7-12(23-3)10(4-5-19-9(2)21)6-13(11)24-14(22)15(16,17)18/h6-7H,4-5H2,1-3H3,(H,19,21)
- InChI Key
- ZGXQPGGIZHJZQD-UHFFFAOYSA-N
- Formula
- C15H16F3NO5
- SMILES
-
COc1cc(C(C)=O)c(OC(=O)C(F)(F)F
)cc1CCNC(C)=O - Molecular Weight1
- 347.29
- 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 | 0.8400 | Relay (... Calculated Property | |
| ΔfG° | -930.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1424.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -2.90 | Relay (... Calculated Property | |
| logPoct/wat | 2.044 | Crippen Calculated Property | |
| McVol | 230.190 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Inp | 2120.00 | NIST | |
| Tboil | 608.31 | K | Relay (... Calculated Property |
| Tc | 809.93 | K | Relay (... Calculated Property |
| Tfus | 374.13 | K | Relay (... Calculated Property |
| Vc | 0.825 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [683.74; 736.84] | J/mol×K | [835.42; 1038.65] | 
|
| Cp,gas | 683.74 | J/mol×K | 835.42 | Joback Calculated Property |
| Cp,gas | 694.84 | J/mol×K | 869.29 | Joback Calculated Property |
| Cp,gas | 705.02 | J/mol×K | 903.16 | Joback Calculated Property |
| Cp,gas | 714.29 | J/mol×K | 937.04 | Joback Calculated Property |
| Cp,gas | 722.67 | J/mol×K | 970.91 | Joback Calculated Property |
| Cp,gas | 730.18 | J/mol×K | 1004.78 | Joback Calculated Property |
| Cp,gas | 736.84 | J/mol×K | 1038.65 | Joback Calculated Property |
Similar Compounds
Sources
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