- InChI
- InChI=1S/C17H23F2NO3/c1-4-5-6-9-23-17(22)15(11(2)3)20-16(21)12-7-8-13(18)14(19)10-12/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,21)
- InChI Key
- AECPSUWIVIULHV-UHFFFAOYSA-N
- Formula
- C17H23F2NO3
- SMILES
-
CCCCCOC(=O)C(NC(=O)c1ccc(F)c(F
)c1)C(C)C - Molecular Weight1
- 327.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -482.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 3.453 | Crippen Calculated Property | |
| McVol | 249.160 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| Inp | [2122.00; 2122.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Tboil | 802.99 | K | Joback Calculated Property |
| Tc | 1000.67 | K | Joback Calculated Property |
| Tfus | 478.74 | K | Joback Calculated Property |
| Vc | 0.969 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.67; 820.60] | J/mol×K | [802.99; 1000.67] |
|
| Cp,gas | 748.67 | J/mol×K | 802.99 | Joback Calculated Property |
| Cp,gas | 763.02 | J/mol×K | 835.94 | Joback Calculated Property |
| Cp,gas | 776.39 | J/mol×K | 868.88 | Joback Calculated Property |
| Cp,gas | 788.81 | J/mol×K | 901.83 | Joback Calculated Property |
| Cp,gas | 800.30 | J/mol×K | 934.78 | Joback Calculated Property |
| Cp,gas | 810.89 | J/mol×K | 967.72 | Joback Calculated Property |
| Cp,gas | 820.60 | J/mol×K | 1000.67 | Joback Calculated Property |
Similar Compounds
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Sources
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