- InChI
- InChI=1S/C23H14Cl2O6/c24-16-5-7-18(30-22(26)20-3-1-9-28-20)14(12-16)11-15-13-17(25)6-8-19(15)31-23(27)21-4-2-10-29-21/h1-10,12-13H,11H2
- InChI Key
- RZMVCQXVJKGWDH-UHFFFAOYSA-N
- Formula
- C23H14Cl2O6
- SMILES
-
O=C(Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1
OC(=O)c1ccco1)c1ccco1 - Molecular Weight1
- 457.26
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.9855 | Relay (... Calculated Property | |
| ΔfG° | -303.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -550.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 139.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.39 | eV | Relay (... Calculated Property |
| log10WS | -7.37 | Relay (... Calculated Property | |
| logPoct/wat | 6.209 | Crippen Calculated Property | |
| McVol | 299.590 | ml/mol | McGowan Calculated Property |
| Pc | 1764.34 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3365.00 | NIST | |
| Tboil | 757.55 | K | Relay (... Calculated Property |
| Tc | 1080.38 | K | Relay (... Calculated Property |
| Tfus | 379.21 | K | Relay (... Calculated Property |
| Vc | 1.121 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Dichlorophen, O,O'-di(2-furoyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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