- InChI
- InChI=1S/C16H21ClFNO3/c1-10(2)6-5-9-22-16(21)11(3)19-15(20)12-7-4-8-13(17)14(12)18/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,19,20)
- InChI Key
- ZJKYSVPGRXJVMS-UHFFFAOYSA-N
- Formula
- C16H21ClFNO3
- SMILES
-
CC(C)CCCOC(=O)C(C)NC(=O)c1cccc
(Cl)c1F - Molecular Weight1
- 329.79
- 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° | -308.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 3.577 | Crippen Calculated Property | |
| McVol | 245.540 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| Inp | 2270.00 | NIST | |
| Tboil | 818.27 | K | Joback Calculated Property |
| Tc | 1026.17 | K | Joback Calculated Property |
| Tfus | 496.80 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.42; 776.51] | J/mol×K | [818.27; 1026.17] | 
|
| Cp,gas | 710.42 | J/mol×K | 818.27 | Joback Calculated Property |
| Cp,gas | 723.84 | J/mol×K | 852.92 | Joback Calculated Property |
| Cp,gas | 736.26 | J/mol×K | 887.57 | Joback Calculated Property |
| Cp,gas | 747.72 | J/mol×K | 922.22 | Joback Calculated Property |
| Cp,gas | 758.22 | J/mol×K | 956.87 | Joback Calculated Property |
| Cp,gas | 767.81 | J/mol×K | 991.52 | Joback Calculated Property |
| Cp,gas | 776.51 | J/mol×K | 1026.17 | Joback Calculated Property |
Similar Compounds
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Sources
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