- InChI
- InChI=1S/C13H14ClF2NO3/c1-2-20-11(18)10(17-12(19)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,17,19)
- InChI Key
- GBLBQWFRENCJNP-UHFFFAOYSA-N
- Formula
- C13H14ClF2NO3
- SMILES
-
CCOC(=O)C(Cc1ccccc1)NC(=O)C(F)
(F)Cl - Molecular Weight1
- 305.70
- 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° | -503.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -801.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.109 | Crippen Calculated Property | |
| McVol | 205.040 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | [1249.00; 1249.00] |
|
|
| Inp | 1249.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Tboil | 736.15 | K | Joback Calculated Property |
| Tc | 946.31 | K | Joback Calculated Property |
| Tfus | 455.96 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.88; 618.51] | J/mol×K | [736.15; 946.31] |
|
| Cp,gas | 558.88 | J/mol×K | 736.15 | Joback Calculated Property |
| Cp,gas | 571.01 | J/mol×K | 771.18 | Joback Calculated Property |
| Cp,gas | 582.19 | J/mol×K | 806.20 | Joback Calculated Property |
| Cp,gas | 592.48 | J/mol×K | 841.23 | Joback Calculated Property |
| Cp,gas | 601.93 | J/mol×K | 876.25 | Joback Calculated Property |
| Cp,gas | 610.59 | J/mol×K | 911.28 | Joback Calculated Property |
| Cp,gas | 618.51 | J/mol×K | 946.31 | Joback Calculated Property |
Similar Compounds
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Sources
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