- InChI
- InChI=1S/C19H16Cl2F2O4/c20-14-8-4-6-12(16(14)22)18(24)26-10-2-1-3-11-27-19(25)13-7-5-9-15(21)17(13)23/h4-9H,1-3,10-11H2
- InChI Key
- WWMLEEMKWONWSV-UHFFFAOYSA-N
- Formula
- C19H16Cl2F2O4
- SMILES
-
O=C(OCCCCCOC(=O)c1cccc(Cl)c1F)
c1cccc(Cl)c1F - Molecular Weight1
- 417.23
- 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° | -585.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.54 | kJ/mol | Joback Calculated Property |
| log10WS | -6.89 | Crippen Calculated Property | |
| logPoct/wat | 5.456 | Crippen Calculated Property | |
| McVol | 273.950 | ml/mol | McGowan Calculated Property |
| Pc | 1584.75 | kPa | Joback Calculated Property |
| Inp | 3026.00 | NIST | |
| Tboil | 933.38 | K | Joback Calculated Property |
| Tc | 1156.94 | K | Joback Calculated Property |
| Tfus | 612.15 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.56; 822.96] | J/mol×K | [933.38; 1156.94] | 
|
| Cp,gas | 778.56 | J/mol×K | 933.38 | Joback Calculated Property |
| Cp,gas | 788.81 | J/mol×K | 970.64 | Joback Calculated Property |
| Cp,gas | 797.89 | J/mol×K | 1007.90 | Joback Calculated Property |
| Cp,gas | 805.83 | J/mol×K | 1045.16 | Joback Calculated Property |
| Cp,gas | 812.64 | J/mol×K | 1082.42 | Joback Calculated Property |
| Cp,gas | 818.34 | J/mol×K | 1119.68 | Joback Calculated Property |
| Cp,gas | 822.96 | J/mol×K | 1156.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Pentanediol, O,O'-bis(3-chloro-2-fluorobenzoyl)-.
Sources
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