- InChI
- InChI=1S/C10H11ClO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)
- InChI Key
- SSFDAZXGUKDEAH-UHFFFAOYSA-N
- Formula
- C10H11ClO2
- SMILES
- CC(C)(C(=O)O)c1ccc(Cl)cc1
- Molecular Weight1
- 198.65
- CAS
- 6258-30-6
- Other Names
-
- 4-Chloro-«alpha»,«alpha»-dimethylphenylacetic acid
- Benzeneacetic acid, 4-chloro-«alpha»,«alpha»-dimethyl-
- 2-(4-chlorophenyl)-2-methylpropionic acid
- 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 | 0.6241 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.702 | Crippen Calculated Property | |
| McVol | 147.680 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Tboil | 545.34 | K | Relay (1.0) Calculated Property |
| Tc | 784.43 | K | Relay (1.0) Calculated Property |
| Tfus | 396.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.79; 406.92] | J/mol×K | [640.11; 856.54] | 
|
| Cp,gas | 353.79 | J/mol×K | 640.11 | Joback Calculated Property |
| Cp,gas | 364.44 | J/mol×K | 676.18 | Joback Calculated Property |
| Cp,gas | 374.29 | J/mol×K | 712.25 | Joback Calculated Property |
| Cp,gas | 383.42 | J/mol×K | 748.32 | Joback Calculated Property |
| Cp,gas | 391.86 | J/mol×K | 784.40 | Joback Calculated Property |
| Cp,gas | 399.68 | J/mol×K | 820.47 | Joback Calculated Property |
| Cp,gas | 406.92 | J/mol×K | 856.54 | Joback Calculated Property |
| η | [0.0000675; 0.0028724] | Pa×s | [384.49; 640.11] |
|
| η | 0.0028724 | Pa×s | 384.49 | Joback Calculated Property |
| η | 0.0011253 | Pa×s | 427.09 | Joback Calculated Property |
| η | 0.0005226 | Pa×s | 469.70 | Joback Calculated Property |
| η | 0.0002757 | Pa×s | 512.30 | Joback Calculated Property |
| η | 0.0001605 | Pa×s | 554.90 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 597.51 | Joback Calculated Property |
| η | 0.0000675 | Pa×s | 640.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(p-Chlorophenyl)-2-methylpropionic acid.
Sources
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