- InChI
- InChI=1S/C21H38F5NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-19(28)20(22,23)21(24,25)26/h2-18H2,1H3,(H,27,28)
- InChI Key
- HQPKNNKGXWPYGF-UHFFFAOYSA-N
- Formula
- C21H38F5NO
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=O)C(F)(F
)C(F)(F)F - Molecular Weight1
- 415.52
- 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 | 0.9988 | Relay (1.0) Calculated Property | |
| ΔfG° | -881.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1633.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.562 | Crippen Calculated Property | |
| McVol | 327.150 | ml/mol | McGowan Calculated Property |
| Pc | 893.73 | kPa | Joback Calculated Property |
| Inp | [2229.00; 2229.00] |
|
|
| Inp | 2229.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Tboil | 585.66 | K | Relay (1.0) Calculated Property |
| Tc | 726.34 | K | Relay (1.0) Calculated Property |
| Tfus | 329.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.236 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1044.14; 1142.56] | J/mol×K | [773.81; 947.49] |
|
| Cp,gas | 1044.14 | J/mol×K | 773.81 | Joback Calculated Property |
| Cp,gas | 1062.79 | J/mol×K | 802.76 | Joback Calculated Property |
| Cp,gas | 1080.45 | J/mol×K | 831.70 | Joback Calculated Property |
| Cp,gas | 1097.20 | J/mol×K | 860.65 | Joback Calculated Property |
| Cp,gas | 1113.10 | J/mol×K | 889.60 | Joback Calculated Property |
| Cp,gas | 1128.20 | J/mol×K | 918.55 | Joback Calculated Property |
| Cp,gas | 1142.56 | J/mol×K | 947.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropanamide, N-octadecyl-.
Sources
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