- InChI
- InChI=1S/C16H21F2NO3/c1-2-3-4-5-11-22-14(20)9-10-19-16(21)15-12(17)7-6-8-13(15)18/h6-8H,2-5,9-11H2,1H3,(H,19,21)
- InChI Key
- PCVORLYYYGRNKI-UHFFFAOYSA-N
- Formula
- C16H21F2NO3
- SMILES
-
CCCCCCOC(=O)CCNC(=O)c1c(F)cccc
1F - Molecular Weight1
- 313.34
- 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° | -486.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 3.208 | Crippen Calculated Property | |
| McVol | 235.070 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Inp | 2270.00 | NIST | |
| Tboil | 780.99 | K | Joback Calculated Property |
| Tc | 974.53 | K | Joback Calculated Property |
| Tfus | 497.47 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.25; 760.78] | J/mol×K | [780.99; 974.53] | 
|
| Cp,gas | 691.25 | J/mol×K | 780.99 | Joback Calculated Property |
| Cp,gas | 704.97 | J/mol×K | 813.25 | Joback Calculated Property |
| Cp,gas | 717.81 | J/mol×K | 845.50 | Joback Calculated Property |
| Cp,gas | 729.79 | J/mol×K | 877.76 | Joback Calculated Property |
| Cp,gas | 740.93 | J/mol×K | 910.01 | Joback Calculated Property |
| Cp,gas | 751.25 | J/mol×K | 942.27 | Joback Calculated Property |
| Cp,gas | 760.78 | J/mol×K | 974.53 | Joback Calculated Property |
Similar Compounds
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Sources
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