- InChI
- InChI=1S/C9H14F5NO/c1-2-3-4-5-6-15-7(16)8(10,11)9(12,13)14/h2-6H2,1H3,(H,15,16)
- InChI Key
- WMVFFBSJXLBQIO-UHFFFAOYSA-N
- Formula
- C9H14F5NO
- SMILES
- CCCCCCNC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 247.21
- 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 | 0.5575 | Relay (1.0) Calculated Property | |
| ΔfG° | -983.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1385.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.880 | Crippen Calculated Property | |
| McVol | 158.070 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | [1084.00; 1084.00] |
|
|
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Tboil | 440.00 | K | Relay (1.0) Calculated Property |
| Tc | 576.62 | K | Relay (1.0) Calculated Property |
| Tfus | 268.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.12; 460.84] | J/mol×K | [499.25; 656.56] |
|
| Cp,gas | 394.12 | J/mol×K | 499.25 | Joback Calculated Property |
| Cp,gas | 406.85 | J/mol×K | 525.47 | Joback Calculated Property |
| Cp,gas | 418.90 | J/mol×K | 551.69 | Joback Calculated Property |
| Cp,gas | 430.29 | J/mol×K | 577.91 | Joback Calculated Property |
| Cp,gas | 441.06 | J/mol×K | 604.12 | Joback Calculated Property |
| Cp,gas | 451.23 | J/mol×K | 630.34 | Joback Calculated Property |
| Cp,gas | 460.84 | J/mol×K | 656.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropanamide, N-hexyl-.
Sources
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