- InChI
- InChI=1S/C24H38FNO3/c1-4-5-6-7-8-9-10-11-12-13-18-29-24(28)22(19(2)3)26-23(27)20-14-16-21(25)17-15-20/h14-17,19,22H,4-13,18H2,1-3H3,(H,26,27)
- InChI Key
- WXOITMBKBOEKKV-UHFFFAOYSA-N
- Formula
- C24H38FNO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(NC(=O)c1cc
c(F)cc1)C(C)C - Molecular Weight1
- 407.56
- 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 | 1.0494 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.044 | Crippen Calculated Property | |
| McVol | 346.020 | ml/mol | McGowan Calculated Property |
| Pc | 1031.91 | kPa | Joback Calculated Property |
| Inp | [2836.00; 2836.00] |
|
|
| Inp | 2836.00 | NIST | |
| Inp | 2836.00 | NIST | |
| Tboil | 656.49 | K | Relay (1.0) Calculated Property |
| Tc | 884.68 | K | Relay (1.0) Calculated Property |
| Tfus | 364.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1158.56; 1239.53] | J/mol×K | [958.90; 1173.99] |
|
| Cp,gas | 1158.56 | J/mol×K | 958.90 | Joback Calculated Property |
| Cp,gas | 1175.20 | J/mol×K | 994.75 | Joback Calculated Property |
| Cp,gas | 1190.50 | J/mol×K | 1030.60 | Joback Calculated Property |
| Cp,gas | 1204.52 | J/mol×K | 1066.45 | Joback Calculated Property |
| Cp,gas | 1217.33 | J/mol×K | 1102.30 | Joback Calculated Property |
| Cp,gas | 1228.98 | J/mol×K | 1138.15 | Joback Calculated Property |
| Cp,gas | 1239.53 | J/mol×K | 1173.99 | Joback Calculated Property |
Similar Compounds
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Sources
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