- InChI
- InChI=1S/C27H16Cl2F2O4/c28-20-7-9-24(34-26(32)16-3-1-5-22(30)14-16)18(12-20)11-19-13-21(29)8-10-25(19)35-27(33)17-4-2-6-23(31)15-17/h1-10,12-15H,11H2
- InChI Key
- MYDYUTGBFCPIPM-UHFFFAOYSA-N
- Formula
- C27H16Cl2F2O4
- SMILES
-
O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1
OC(=O)c1cccc(F)c1)c1cccc(F)c1 - Molecular Weight1
- 513.32
- 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° | -313.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.22 | kJ/mol | Joback Calculated Property |
| log10WS | -9.78 | Crippen Calculated Property | |
| logPoct/wat | 7.301 | Crippen Calculated Property | |
| McVol | 339.150 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| Inp | [3524.00; 3524.00] |
|
|
| Inp | 3524.00 | NIST | |
| Inp | 3524.00 | NIST | |
| Tboil | 1179.74 | K | Joback Calculated Property |
| Tc | 1449.32 | K | Joback Calculated Property |
| Tfus | 780.19 | K | Joback Calculated Property |
| Vc | 1.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1001.17; 1010.79] | J/mol×K | [1179.74; 1449.32] |
|
| Cp,gas | 1001.17 | J/mol×K | 1179.74 | Joback Calculated Property |
| Cp,gas | 1005.77 | J/mol×K | 1224.67 | Joback Calculated Property |
| Cp,gas | 1008.85 | J/mol×K | 1269.60 | Joback Calculated Property |
| Cp,gas | 1010.50 | J/mol×K | 1314.53 | Joback Calculated Property |
| Cp,gas | 1010.79 | J/mol×K | 1359.46 | Joback Calculated Property |
| Cp,gas | 1009.82 | J/mol×K | 1404.39 | Joback Calculated Property |
| Cp,gas | 1007.69 | J/mol×K | 1449.32 | Joback Calculated Property |
Similar Compounds
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Sources
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