Chemical Properties of p-Chloromandelic acid (CAS 492-86-4)

p-Chloromandelic acid

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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
  • (dl) p-chloromandelic acid
  • 4-Chloro-«alpha»-hydroxybenzeneethanoic acid
  • 4-Chloromandelic acid
  • Benzeneacetic acid, 4-chloro-«alpha»-hydroxy-
  • DL-4-Chloromandelic acid
  • Mandelic acid, p-chloro-
  • NSC 31400
  • Para-chloromandelic acid
Sources

Physical Properties

Property Value Unit Source
Δf -297.67 kJ/mol Joback Calculated Property
Δfgas -421.45 kJ/mol Joback Calculated Property
Δfus 20.58 kJ/mol Joback Calculated Property
Δvap 80.44 kJ/mol Joback Calculated Property
logPoct/wat 1.46 Crippen 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 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 296.87 J/mol×K 689.32 Joback Calculated Property
η 0.00 Pa×s 689.32 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Mandelic acid. Mandelic acid. Benzeneacetic acid, «alpha»-hydroxy-, (S)-. Methyl mandelate. 4-Fluoromandelic acid. Benzeneacetic acid, «alpha»-methoxy-, (.+/-.)-. Benzeneacetic acid, «alpha»-methoxy-, (.+/-.)-. (R)-(-)-«alpha»-Methoxyphenylacetic acid. Benzeneacetic acid, «alpha»-methoxy-, (S)-. Mandelate, hexamethylenetetra-amine-. Benzene, 1-chloro-4-(epoxyethyl)-. Acetic acid, p-chlorophenyl-. Benzeneacetic acid, «alpha»-hydroxy-, ethyl ester, (R)-. Ethyl mandelate. 4-Chloro-alpha-methylbenzyl alcohol.

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