- InChI
- InChI=1S/C21H30F3NO3/c1-2-3-4-5-6-7-8-9-10-15-28-18(26)13-14-25-21(27)16-11-12-17(22)20(24)19(16)23/h11-12H,2-10,13-15H2,1H3,(H,25,27)
- InChI Key
- BHVIYNPVUKSNSL-UHFFFAOYSA-N
- Formula
- C21H30F3NO3
- SMILES
-
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc
(F)c(F)c1F - Molecular Weight1
- 401.46
- 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 | 1.0714 | Relay (1.0) Calculated Property | |
| ΔfG° | -648.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1193.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.298 | Crippen Calculated Property | |
| McVol | 307.290 | ml/mol | McGowan Calculated Property |
| Pc | 1140.57 | kPa | Joback Calculated Property |
| Inp | 2663.00 | NIST | |
| Tboil | 652.39 | K | Relay (1.0) Calculated Property |
| Tc | 857.68 | K | Relay (1.0) Calculated Property |
| Tfus | 340.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.142 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [987.81; 1062.61] | J/mol×K | [899.64; 1101.62] | 
|
| Cp,gas | 987.81 | J/mol×K | 899.64 | Joback Calculated Property |
| Cp,gas | 1002.98 | J/mol×K | 933.30 | Joback Calculated Property |
| Cp,gas | 1017.01 | J/mol×K | 966.97 | Joback Calculated Property |
| Cp,gas | 1029.96 | J/mol×K | 1000.63 | Joback Calculated Property |
| Cp,gas | 1041.86 | J/mol×K | 1034.29 | Joback Calculated Property |
| Cp,gas | 1052.73 | J/mol×K | 1067.96 | Joback Calculated Property |
| Cp,gas | 1062.61 | J/mol×K | 1101.62 | Joback Calculated Property |
Similar Compounds
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Sources
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