- InChI
- InChI=1S/C11H13ClO2/c1-11(2,3)8-4-7(6-13)10(14)9(12)5-8/h4-6,14H,1-3H3
- InChI Key
- WLZAKZNRJOORCP-UHFFFAOYSA-N
- Formula
- C11H13ClO2
- SMILES
- CC(C)(C)c1cc(Cl)c(O)c(C=O)c1
- Molecular Weight1
- 212.67
- 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).
- 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 | 0.6033 | Relay (... Calculated Property | |
| ΔfG° | -128.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.11 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -3.81 | Relay (... Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Inp | 1704.00 | NIST | |
| Tboil | 516.25 | K | Relay (... Calculated Property |
| Tc | 826.98 | K | Relay (... Calculated Property |
| Tfus | 357.27 | K | Relay (... Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.62; 461.33] | J/mol×K | [651.20; 887.01] | 
|
| Cp,gas | 400.62 | J/mol×K | 651.20 | Joback Calculated Property |
| Cp,gas | 412.50 | J/mol×K | 690.50 | Joback Calculated Property |
| Cp,gas | 423.53 | J/mol×K | 729.80 | Joback Calculated Property |
| Cp,gas | 433.81 | J/mol×K | 769.11 | Joback Calculated Property |
| Cp,gas | 443.46 | J/mol×K | 808.41 | Joback Calculated Property |
| Cp,gas | 452.60 | J/mol×K | 847.71 | Joback Calculated Property |
| Cp,gas | 461.33 | J/mol×K | 887.01 | Joback Calculated Property |
| η | [0.0000264; 0.0005256] | Pa×s | [451.25; 651.20] |
|
| η | 0.0005256 | Pa×s | 451.25 | Joback Calculated Property |
| η | 0.0002690 | Pa×s | 484.57 | Joback Calculated Property |
| η | 0.0001501 | Pa×s | 517.90 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 551.23 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 584.55 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 617.88 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 651.20 | Joback Calculated Property |
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Sources
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