- InChI
- InChI=1S/C15H19ClFNO3/c1-3-4-5-9-21-15(20)10(2)18-14(19)11-7-6-8-12(16)13(11)17/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)
- InChI Key
- YKUICNAPNCVSIH-UHFFFAOYSA-N
- Formula
- C15H19ClFNO3
- SMILES
-
CCCCCOC(=O)C(C)NC(=O)c1cccc(Cl
)c1F - Molecular Weight1
- 315.77
- 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° | -314.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 3.331 | Crippen Calculated Property | |
| McVol | 231.450 | ml/mol | McGowan Calculated Property |
| Pc | 1875.65 | kPa | Joback Calculated Property |
| Inp | 2213.00 | NIST | |
| Tboil | 795.83 | K | Joback Calculated Property |
| Tc | 1002.26 | K | Joback Calculated Property |
| Tfus | 500.53 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.19; 718.43] | J/mol×K | [795.83; 1002.26] | 
|
| Cp,gas | 654.19 | J/mol×K | 795.83 | Joback Calculated Property |
| Cp,gas | 667.15 | J/mol×K | 830.24 | Joback Calculated Property |
| Cp,gas | 679.18 | J/mol×K | 864.64 | Joback Calculated Property |
| Cp,gas | 690.29 | J/mol×K | 899.05 | Joback Calculated Property |
| Cp,gas | 700.53 | J/mol×K | 933.45 | Joback Calculated Property |
| Cp,gas | 709.90 | J/mol×K | 967.86 | Joback Calculated Property |
| Cp,gas | 718.43 | J/mol×K | 1002.26 | Joback Calculated Property |
Similar Compounds
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Sources
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