- InChI
- InChI=1S/C9H9Cl3O/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,1-2H3
- InChI Key
- KRWAFSMISJEYKC-UHFFFAOYSA-N
- Formula
- C9H9Cl3O
- SMILES
- CC(C)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 239.53
- CAS
- 6851-46-3
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.4862 | Relay (... Calculated Property | |
| ΔfG° | -34.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -4.47 | Relay (... Calculated Property | |
| logPoct/wat | 4.434 | Crippen Calculated Property | |
| McVol | 156.500 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Tboil | 515.91 | K | Relay (... Calculated Property |
| Tc | 758.83 | K | Relay (... Calculated Property |
| Tfus | 336.48 | K | Relay (... Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.71; 369.83] | J/mol×K | [581.21; 810.67] | 
|
| Cp,gas | 313.71 | J/mol×K | 581.21 | Joback Calculated Property |
| Cp,gas | 324.62 | J/mol×K | 619.45 | Joback Calculated Property |
| Cp,gas | 334.89 | J/mol×K | 657.70 | Joback Calculated Property |
| Cp,gas | 344.54 | J/mol×K | 695.94 | Joback Calculated Property |
| Cp,gas | 353.58 | J/mol×K | 734.18 | Joback Calculated Property |
| Cp,gas | 362.00 | J/mol×K | 772.43 | Joback Calculated Property |
| Cp,gas | 369.83 | J/mol×K | 810.67 | Joback Calculated Property |
| η | [0.0001816; 0.0012326] | Pa×s | [352.16; 581.21] |
|
| η | 0.0012326 | Pa×s | 352.16 | Joback Calculated Property |
| η | 0.0007663 | Pa×s | 390.34 | Joback Calculated Property |
| η | 0.0005185 | Pa×s | 428.51 | Joback Calculated Property |
| η | 0.0003740 | Pa×s | 466.69 | Joback Calculated Property |
| η | 0.0002834 | Pa×s | 504.86 | Joback Calculated Property |
| η | 0.0002233 | Pa×s | 543.04 | Joback Calculated Property |
| η | 0.0001816 | Pa×s | 581.21 | Joback Calculated Property |
Similar Compounds
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Sources
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