- InChI
- InChI=1S/C11H5Cl3O3/c12-6-4-8(14)10(5-7(6)13)17-11(15)9-2-1-3-16-9/h1-5H
- InChI Key
- IMHATZBSQRHLIE-UHFFFAOYSA-N
- Formula
- C11H5Cl3O3
- SMILES
-
O=C(Oc1cc(Cl)c(Cl)cc1Cl)c1ccco
1 - Molecular Weight1
- 291.51
- 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 | 0.6564 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -347.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.459 | Crippen Calculated Property | |
| McVol | 172.660 | ml/mol | McGowan Calculated Property |
| Pc | 3046.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2059.00 | NIST | |
| Tboil | 596.38 | K | Relay (1.0) Calculated Property |
| Tc | 886.93 | K | Relay (1.0) Calculated Property |
| Tfus | 353.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Furoic acid, 2,4,5-trichlorophenyl ester.
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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