- InChI
- InChI=1S/C9H5ClO2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
- InChI Key
- BWPNKJCEDYRUCB-UHFFFAOYSA-N
- Formula
- C9H5ClO2
- SMILES
- O=c1ccc2ccc(Cl)cc2o1
- Molecular Weight1
- 180.59
- 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 | 0.4743 | Relay (... Calculated Property | |
| ΔfG° | -114.34 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -200.20 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 87.87 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -3.22 | Relay (... Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 118.430 | ml/mol | McGowan Calculated Property |
| Pc | 4171.52 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1586.00; 1657.00] |
|
|
| Inp | 1586.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1586.00 | NIST | |
| Tboil | 586.03 | K | Relay (... Calculated Property |
| Tc | 812.74 | K | Relay (... Calculated Property |
| Tfus | 374.72 | K | Relay (... Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 7-Chlorocoumarin.
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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