- InChI
- InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)
- InChI Key
- VTJMSIIXXKNIDJ-UHFFFAOYSA-N
- Formula
- C11H13ClO2
- SMILES
- CC(C)C(C(=O)O)c1ccc(Cl)cc1
- Molecular Weight1
- 212.67
- CAS
- 2012-74-0
- Other Names
-
- «alpha»-(p-Chlorophenyl)isovaleric acid
- Benzeneacetic acid, 4-chloro-«alpha»-(1-methylethyl)-
- Butyric acid, 2-(p-chlorophenyl)-3-methyl-
- 2-(4-chlorophenyl)-3-methylbutyric acid
- 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° | -138.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 3.164 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Tboil | 665.34 | K | Joback Calculated Property |
| Tc | 874.99 | K | Joback Calculated Property |
| Tfus | 363.34 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.05; 458.11] | J/mol×K | [665.34; 874.99] | 
|
| Cp,gas | 400.05 | J/mol×K | 665.34 | Joback Calculated Property |
| Cp,gas | 411.49 | J/mol×K | 700.28 | Joback Calculated Property |
| Cp,gas | 422.18 | J/mol×K | 735.22 | Joback Calculated Property |
| Cp,gas | 432.15 | J/mol×K | 770.16 | Joback Calculated Property |
| Cp,gas | 441.44 | J/mol×K | 805.10 | Joback Calculated Property |
| Cp,gas | 450.08 | J/mol×K | 840.05 | Joback Calculated Property |
| Cp,gas | 458.11 | J/mol×K | 874.99 | Joback Calculated Property |
| η | [0.0000561; 0.0046762] | Pa×s | [363.34; 665.34] |
|
| η | 0.0046762 | Pa×s | 363.34 | Joback Calculated Property |
| η | 0.0014286 | Pa×s | 413.67 | Joback Calculated Property |
| η | 0.0005645 | Pa×s | 464.01 | Joback Calculated Property |
| η | 0.0002675 | Pa×s | 514.34 | Joback Calculated Property |
| η | 0.0001448 | Pa×s | 564.67 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 615.01 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 665.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(p-Chlorophenyl)-3-methylbutyric acid.
Sources
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