- InChI
- InChI=1S/C13H7Cl3O2/c1-6-2-10-11(3-7(6)14)18-13-5-9(16)8(15)4-12(13)17-10/h2-5H,1H3
- InChI Key
- XUOCRPPPSAFJCF-UHFFFAOYSA-N
- Formula
- C13H7Cl3O2
- SMILES
-
Cc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc
1O2 - Molecular Weight1
- 301.55
- 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).
- 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° | 98.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 5.853 | Crippen Calculated Property | |
| McVol | 184.110 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Inp | [2287.00; 2287.00] |
|
|
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Tboil | 753.41 | K | Joback Calculated Property |
| Tc | 1012.85 | K | Joback Calculated Property |
| Tfus | 532.83 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.49; 471.96] | J/mol×K | [753.41; 1012.85] |
|
| Cp,gas | 422.49 | J/mol×K | 753.41 | Joback Calculated Property |
| Cp,gas | 432.19 | J/mol×K | 796.65 | Joback Calculated Property |
| Cp,gas | 441.17 | J/mol×K | 839.89 | Joback Calculated Property |
| Cp,gas | 449.53 | J/mol×K | 883.13 | Joback Calculated Property |
| Cp,gas | 457.38 | J/mol×K | 926.37 | Joback Calculated Property |
| Cp,gas | 464.83 | J/mol×K | 969.61 | Joback Calculated Property |
| Cp,gas | 471.96 | J/mol×K | 1012.85 | Joback Calculated Property |
| η | [0.0004486; 0.0011928] | Pa×s | [532.83; 753.41] |
|
| η | 0.0011928 | Pa×s | 532.83 | Joback Calculated Property |
| η | 0.0009615 | Pa×s | 569.59 | Joback Calculated Property |
| η | 0.0007955 | Pa×s | 606.36 | Joback Calculated Property |
| η | 0.0006726 | Pa×s | 643.12 | Joback Calculated Property |
| η | 0.0005791 | Pa×s | 679.88 | Joback Calculated Property |
| η | 0.0005064 | Pa×s | 716.65 | Joback Calculated Property |
| η | 0.0004486 | Pa×s | 753.41 | Joback Calculated Property |
Similar Compounds
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Sources
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