- InChI
- InChI=1S/C29H16Cl2F6O4/c30-22-7-9-24(40-26(38)16-3-1-5-20(12-16)28(32,33)34)18(14-22)11-19-15-23(31)8-10-25(19)41-27(39)17-4-2-6-21(13-17)29(35,36)37/h1-10,12-15H,11H2
- InChI Key
- NWSJXVYBCWVKAI-UHFFFAOYSA-N
- Formula
- C29H16Cl2F6O4
- SMILES
-
O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1
OC(=O)c1cccc(C(F)(F)F)c1)c1ccc c(C(F)(F)F)c1 - Molecular Weight1
- 613.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0992 | Relay (1.0) Calculated Property | |
| ΔfG° | -1069.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1609.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.060 | Crippen Calculated Property | |
| McVol | 374.410 | ml/mol | McGowan Calculated Property |
| Pc | 1124.57 | kPa | Joback Calculated Property |
| Inp | [3316.00; 3316.00] |
|
|
| Inp | 3316.00 | NIST | |
| Inp | 3316.00 | NIST | |
| Tboil | 789.34 | K | Relay (1.0) Calculated Property |
| Tc | 1118.12 | K | Relay (1.0) Calculated Property |
| Tfus | 413.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.350 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1148.69; 1185.09] | J/mol×K | [1216.12; 1488.91] |
|
| Cp,gas | 1148.69 | J/mol×K | 1216.12 | Joback Calculated Property |
| Cp,gas | 1155.74 | J/mol×K | 1261.59 | Joback Calculated Property |
| Cp,gas | 1162.12 | J/mol×K | 1307.05 | Joback Calculated Property |
| Cp,gas | 1168.05 | J/mol×K | 1352.52 | Joback Calculated Property |
| Cp,gas | 1173.72 | J/mol×K | 1397.98 | Joback Calculated Property |
| Cp,gas | 1179.33 | J/mol×K | 1443.45 | Joback Calculated Property |
| Cp,gas | 1185.09 | J/mol×K | 1488.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichlorophen, O,O'-di(3-trifluoromethylbenzoyl)-.
Sources
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