- InChI
- InChI=1S/C8H12F5NO/c1-5(2)3-4-14-6(15)7(9,10)8(11,12)13/h5H,3-4H2,1-2H3,(H,14,15)
- InChI Key
- UHCIHGOYCUACPW-UHFFFAOYSA-N
- Formula
- C8H12F5NO
- SMILES
- CC(C)CCNC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 233.18
- 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 | 0.4868 | Relay (1.0) Calculated Property | |
| ΔfG° | -993.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1387.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.346 | Crippen Calculated Property | |
| McVol | 143.980 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | [944.00; 944.00] |
|
|
| Inp | 944.00 | NIST | |
| Inp | 944.00 | NIST | |
| Tboil | 420.50 | K | Relay (1.0) Calculated Property |
| Tc | 554.05 | K | Relay (1.0) Calculated Property |
| Tfus | 264.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.29; 413.74] | J/mol×K | [475.93; 636.89] |
|
| Cp,gas | 349.29 | J/mol×K | 475.93 | Joback Calculated Property |
| Cp,gas | 361.67 | J/mol×K | 502.76 | Joback Calculated Property |
| Cp,gas | 373.36 | J/mol×K | 529.58 | Joback Calculated Property |
| Cp,gas | 384.38 | J/mol×K | 556.41 | Joback Calculated Property |
| Cp,gas | 394.76 | J/mol×K | 583.24 | Joback Calculated Property |
| Cp,gas | 404.54 | J/mol×K | 610.07 | Joback Calculated Property |
| Cp,gas | 413.74 | J/mol×K | 636.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropanamide, N-3-methylbutyl-.
Sources
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