- InChI
- InChI=1S/C18H15Cl2F2NO2/c1-2-3-10-23(17(24)11-6-4-8-13(19)15(11)21)18(25)12-7-5-9-14(20)16(12)22/h4-9H,2-3,10H2,1H3
- InChI Key
- OTTKMEALNZMXAX-UHFFFAOYSA-N
- Formula
- C18H15Cl2F2NO2
- SMILES
-
CCCCN(C(=O)c1cccc(Cl)c1F)C(=O)
c1cccc(Cl)c1F - Molecular Weight1
- 386.22
- 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° | -273.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.53 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 5.354 | Crippen Calculated Property | |
| McVol | 258.100 | ml/mol | McGowan Calculated Property |
| Pc | 1759.49 | kPa | Joback Calculated Property |
| Inp | 2442.00 | NIST | |
| Tboil | 878.10 | K | Joback Calculated Property |
| Tc | 1101.70 | K | Joback Calculated Property |
| Tfus | 588.89 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.18; 766.62] | J/mol×K | [878.10; 1101.70] | 
|
| Cp,gas | 712.18 | J/mol×K | 878.10 | Joback Calculated Property |
| Cp,gas | 723.42 | J/mol×K | 915.37 | Joback Calculated Property |
| Cp,gas | 733.70 | J/mol×K | 952.63 | Joback Calculated Property |
| Cp,gas | 743.10 | J/mol×K | 989.90 | Joback Calculated Property |
| Cp,gas | 751.68 | J/mol×K | 1027.17 | Joback Calculated Property |
| Cp,gas | 759.50 | J/mol×K | 1064.44 | Joback Calculated Property |
| Cp,gas | 766.62 | J/mol×K | 1101.70 | Joback Calculated Property |
Similar Compounds
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Sources
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