- InChI
- InChI=1S/C14H17ClFNO3/c1-3-4-8-20-14(19)9(2)17-13(18)10-6-5-7-11(15)12(10)16/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
- InChI Key
- UHNAJCCMVAJVMF-UHFFFAOYSA-N
- Formula
- C14H17ClFNO3
- SMILES
-
CCCCOC(=O)C(C)NC(=O)c1cccc(Cl)
c1F - Molecular Weight1
- 301.74
- 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° | -322.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 2.941 | Crippen Calculated Property | |
| McVol | 217.360 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | 2119.00 | NIST | |
| Tboil | 772.95 | K | Joback Calculated Property |
| Tc | 980.93 | K | Joback Calculated Property |
| Tfus | 489.26 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.53; 662.07] | J/mol×K | [772.95; 980.93] | 
|
| Cp,gas | 599.53 | J/mol×K | 772.95 | Joback Calculated Property |
| Cp,gas | 612.13 | J/mol×K | 807.61 | Joback Calculated Property |
| Cp,gas | 623.84 | J/mol×K | 842.28 | Joback Calculated Property |
| Cp,gas | 634.66 | J/mol×K | 876.94 | Joback Calculated Property |
| Cp,gas | 644.63 | J/mol×K | 911.61 | Joback Calculated Property |
| Cp,gas | 653.76 | J/mol×K | 946.27 | Joback Calculated Property |
| Cp,gas | 662.07 | J/mol×K | 980.93 | Joback Calculated Property |
Similar Compounds
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Sources
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