- InChI
- InChI=1S/C29H14Cl2F8O4/c30-18-3-7-24(42-26(40)14-1-5-20(22(32)12-14)28(34,35)36)16(10-18)9-17-11-19(31)4-8-25(17)43-27(41)15-2-6-21(23(33)13-15)29(37,38)39/h1-8,10-13H,9H2
- InChI Key
- RDVVZTBMYULZEL-UHFFFAOYSA-N
- Formula
- C29H14Cl2F8O4
- SMILES
-
O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1
OC(=O)c1ccc(C(F)(F)F)c(F)c1)c1 ccc(C(F)(F)F)c(F)c1 - Molecular Weight1
- 649.31
- 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° | -1478.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1894.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.50 | kJ/mol | Joback Calculated Property |
| log10WS | -11.99 | Crippen Calculated Property | |
| logPoct/wat | 9.338 | Crippen Calculated Property | |
| McVol | 377.950 | ml/mol | McGowan Calculated Property |
| Pc | 1039.24 | kPa | Joback Calculated Property |
| Inp | 3214.00 | NIST | |
| Tboil | 1224.62 | K | Joback Calculated Property |
| Tc | 1502.10 | K | Joback Calculated Property |
| Tfus | 836.15 | K | Joback Calculated Property |
| Vc | 1.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1155.02; 1181.99] | J/mol×K | [1224.62; 1502.10] | 
|
| Cp,gas | 1155.02 | J/mol×K | 1224.62 | Joback Calculated Property |
| Cp,gas | 1160.97 | J/mol×K | 1270.87 | Joback Calculated Property |
| Cp,gas | 1166.10 | J/mol×K | 1317.11 | Joback Calculated Property |
| Cp,gas | 1170.57 | J/mol×K | 1363.36 | Joback Calculated Property |
| Cp,gas | 1174.59 | J/mol×K | 1409.61 | Joback Calculated Property |
| Cp,gas | 1178.33 | J/mol×K | 1455.86 | Joback Calculated Property |
| Cp,gas | 1181.99 | J/mol×K | 1502.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dichlorphen, O,O'-bis(3-Fluoro-4-trifluoromethylbenzoyl)-.
Sources
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