- InChI
- InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
- InChI Key
- BWSFWXSSALIZAU-UHFFFAOYSA-N
- Formula
- C8H7ClO3
- SMILES
- O=C(O)C(O)c1ccc(Cl)cc1
- Molecular Weight1
- 186.59
- CAS
- 492-86-4
- Other Names
-
- 4-Chloromandelic acid
- Benzeneacetic acid, 4-chloro-«alpha»-hydroxy-
- Mandelic acid, p-chloro-
- Para-chloromandelic acid
- 4-Chloro-«alpha»-hydroxybenzeneethanoic acid
- NSC 31400
- DL-4-Chloromandelic acid
- (dl) p-chloromandelic 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° | -297.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.44 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.458 | Crippen Calculated Property | |
| McVol | 125.370 | ml/mol | McGowan Calculated Property |
| Pc | 4743.15 | kPa | Joback Calculated Property |
| Tboil | 689.32 | K | Joback Calculated Property |
| Tc | 891.12 | K | Joback Calculated Property |
| Tfus | 405.35 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.87; 332.38] | J/mol×K | [689.32; 891.12] | 
|
| Cp,gas | 296.87 | J/mol×K | 689.32 | Joback Calculated Property |
| Cp,gas | 303.93 | J/mol×K | 722.95 | Joback Calculated Property |
| Cp,gas | 310.51 | J/mol×K | 756.59 | Joback Calculated Property |
| Cp,gas | 316.62 | J/mol×K | 790.22 | Joback Calculated Property |
| Cp,gas | 322.28 | J/mol×K | 823.85 | Joback Calculated Property |
| Cp,gas | 327.53 | J/mol×K | 857.49 | Joback Calculated Property |
| Cp,gas | 332.38 | J/mol×K | 891.12 | Joback Calculated Property |
| η | [0.0000188; 0.0028509] | Pa×s | [405.35; 689.32] |
|
| η | 0.0028509 | Pa×s | 405.35 | Joback Calculated Property |
| η | 0.0007972 | Pa×s | 452.68 | Joback Calculated Property |
| η | 0.0002838 | Pa×s | 500.01 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 547.34 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 594.66 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 641.99 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 689.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Chloromandelic acid.
Sources
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