Chemical Properties of 4-Chlorophenoxyacetic acid (CAS 122-88-3)

4-Chlorophenoxyacetic acid

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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
  • 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
Sources

Physical Properties

Property Value Unit Source
Δf -263.41 kJ/mol Joback Calculated Property
Δfgas -396.16 kJ/mol Joback Calculated Property
Δfus 21.20 kJ/mol Joback Calculated Property
Δvap 66.56 kJ/mol Joback Calculated Property
logPoct/wat 1.80 Crippen 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 ± 0.20 K NIST
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 278.94 J/mol×K 620.0 Joback Calculated Property
η 0.00 Pa×s 620.0 Joback Calculated Property
ΔfusH 36.27 kJ/mol 429.6 NIST
ΔfusH 36.27 kJ/mol 429.6 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH2- 1
>C=O (nonring) 1

Similar Compounds

4-CHLOROPHENOXYACETIC ACID, METHYL,ESTER. Ethanol, 2-(4-chlorophenoxy)-. Acetic acid, phenoxy-. 1-Chloro-4-ethoxybenzene. Acetic acid, (4-chlorophenoxy)-, butyl ester. Acetic acid, (4-chlorophenoxy)-, isobutyl ester. Acetic acid, 4-chlorophenyl ester. Clofibric Acid. methylamine ethanol chlorphenoxyacetate. Acetic acid, (4-methoxyphenoxy)-. Acetic acid, phenoxy-, methyl ester. Acetic acid, (4-chlorophenoxy)-, hexadecyl ester. Acetic acid, (4-chlorophenoxy)-, tridecyl ester. Acetic acid, (4-chlorophenoxy)-, heptadecyl ester. Acetic acid, (4-chlorophenoxy)-, dodecyl ester.

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