- InChI
- InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key
- SODPIMGUZLOIPE-UHFFFAOYSA-N
- Formula
- C8H7ClO3
- SMILES
- O=C(O)COc1ccc(Cl)cc1
- Molecular Weight1
- 186.59
- CAS
- 122-88-3
- Other Names
-
- (4-Chlorophenoxy)acetic acid
- (p-Chlorophenoxy)acetic acid
- 2-(4-chlorophenoxy)acetic acid
- 4-CP
- 4-CPA
- Acetic acid, (p-chlorophenoxy)-
- Acetic acid, 2-(4-chlorophenoxy)-
- BI 12
- CPA
- Kyselina 4-chlorfenoxyoctova
- Marks 4-cpa
- NSC 8769
- PCPA
- Sure-Set
- Tomato Fix
- Tomato Fix concentrate
- Tomato hold
- Tomatotone
- para-Chlorophenoxyacetic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -263.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Aq. Sol... | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 125.370 | ml/mol | McGowan Calculated Property |
| Pc | 4062.13 | kPa | Joback Calculated Property |
| Tboil | 620.00 | K | Joback Calculated Property |
| Tc | 829.16 | K | Joback Calculated Property |
| Tfus | [431.48; 434.65] | K |
|
| Tfus | 434.65 | K | Aq. Sol... |
| Tfus | 431.48 ± 0.20 | K | NIST |
| Vc | 0.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.94; 322.41] | J/mol×K | [620.00; 829.16] |
|
| Cp,gas | 278.94 | J/mol×K | 620.00 | Joback Calculated Property |
| Cp,gas | 287.49 | J/mol×K | 654.86 | Joback Calculated Property |
| Cp,gas | 295.49 | J/mol×K | 689.72 | Joback Calculated Property |
| Cp,gas | 302.98 | J/mol×K | 724.58 | Joback Calculated Property |
| Cp,gas | 309.96 | J/mol×K | 759.44 | Joback Calculated Property |
| Cp,gas | 316.43 | J/mol×K | 794.30 | Joback Calculated Property |
| Cp,gas | 322.41 | J/mol×K | 829.16 | Joback Calculated Property |
| η | [0.0000801; 0.0022303] | Pa×s | [381.76; 620.00] |
|
| η | 0.0022303 | Pa×s | 381.76 | Joback Calculated Property |
| η | 0.0009866 | Pa×s | 421.47 | Joback Calculated Property |
| η | 0.0005023 | Pa×s | 461.17 | Joback Calculated Property |
| η | 0.0002846 | Pa×s | 500.88 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 540.59 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 580.29 | Joback Calculated Property |
| η | 0.0000801 | Pa×s | 620.00 | Joback Calculated Property |
| ΔfusH | [36.27; 36.27] | kJ/mol | [429.60; 429.60] |
|
| ΔfusH | 36.27 | kJ/mol | 429.60 | NIST |
| ΔfusH | 36.27 | kJ/mol | 429.60 | NIST |
Similar Compounds
Find more compounds similar to Acetic acid, (4-chlorophenoxy)-.
Sources
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