- InChI
- InChI=1S/C9H14F5NO2/c1-7(2,5-17-4)15(3)6(16)8(10,11)9(12,13)14/h5H2,1-4H3
- InChI Key
- YQMTYWOWOLERNW-UHFFFAOYSA-N
- Formula
- C9H14F5NO2
- SMILES
-
COCC(C)(C)N(C)C(=O)C(F)(F)C(F)
(F)F - Molecular Weight1
- 263.20
- Other Names
-
- 2,2,3,3,3-Pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide
- 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 | 0.4896 | Relay (1.0) Calculated Property | |
| ΔfG° | -1063.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1484.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.067 | Crippen Calculated Property | |
| McVol | 163.940 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | [1066.00; 1066.00] |
|
|
| Inp | 1066.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Tboil | 438.19 | K | Relay (1.0) Calculated Property |
| Tc | 574.59 | K | Relay (1.0) Calculated Property |
| Tfus | 229.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.34; 478.02] | J/mol×K | [480.71; 641.58] |
|
| Cp,gas | 405.34 | J/mol×K | 480.71 | Joback Calculated Property |
| Cp,gas | 419.38 | J/mol×K | 507.52 | Joback Calculated Property |
| Cp,gas | 432.60 | J/mol×K | 534.33 | Joback Calculated Property |
| Cp,gas | 445.03 | J/mol×K | 561.15 | Joback Calculated Property |
| Cp,gas | 456.73 | J/mol×K | 587.96 | Joback Calculated Property |
| Cp,gas | 467.71 | J/mol×K | 614.77 | Joback Calculated Property |
| Cp,gas | 478.02 | J/mol×K | 641.58 | Joback Calculated Property |
Similar Compounds
Sources
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