- InChI
- InChI=1S/C13H9ClO3/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,15-16H
- InChI Key
- OKCRKLJFFOUPLM-UHFFFAOYSA-N
- Formula
- C13H9ClO3
- SMILES
- O=C(c1ccc(Cl)cc1)c1ccc(O)cc1O
- Molecular Weight1
- 248.66
- CAS
- 18239-10-6
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | -176.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 2.982 | Crippen Calculated Property | |
| McVol | 172.060 | ml/mol | McGowan Calculated Property |
| Pc | 4474.22 | kPa | Joback Calculated Property |
| Tboil | 807.72 | K | Joback Calculated Property |
| Tc | 1075.95 | K | Joback Calculated Property |
| Tfus | 604.92 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.87; 510.40] | J/mol×K | [807.72; 1075.95] | 
|
| Cp,gas | 448.87 | J/mol×K | 807.72 | Joback Calculated Property |
| Cp,gas | 459.13 | J/mol×K | 852.42 | Joback Calculated Property |
| Cp,gas | 469.08 | J/mol×K | 897.13 | Joback Calculated Property |
| Cp,gas | 478.95 | J/mol×K | 941.83 | Joback Calculated Property |
| Cp,gas | 488.97 | J/mol×K | 986.54 | Joback Calculated Property |
| Cp,gas | 499.37 | J/mol×K | 1031.24 | Joback Calculated Property |
| Cp,gas | 510.40 | J/mol×K | 1075.95 | Joback Calculated Property |
| η | [0.0000007; 0.0000127] | Pa×s | [604.92; 807.72] |
|
| η | 0.0000127 | Pa×s | 604.92 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 638.72 | Joback Calculated Property |
| η | 0.0000040 | Pa×s | 672.52 | Joback Calculated Property |
| η | 0.0000024 | Pa×s | 706.32 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 740.12 | Joback Calculated Property |
| η | 0.0000010 | Pa×s | 773.92 | Joback Calculated Property |
| η | 0.0000007 | Pa×s | 807.72 | Joback Calculated Property |
Similar Compounds
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Sources
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