Chemical Properties of Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester (CAS 2911-74-2)

Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester

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InChI
InChI=1S/C10H12O5/c1-14-8-5-6(3-4-7(8)11)9(12)10(13)15-2/h3-5,9,11-12H,1-2H3
InChI Key
XPQNHALAUGGUJN-UHFFFAOYSA-N
Formula
C10H12O5
SMILES
COC(=O)C(O)c1ccc(O)c(OC)c1
Molecular Weight1
212.20
CAS
2911-74-2
Other Names
  • Mandelic acid, 4-hydroxy-3-methoxy-, methyl ester
  • Methyl hydroxy(4-hydroxy-3-methoxyphenyl)acetate
Sources

Physical Properties

Property Value Unit Source
Δf -496.70 kJ/mol Joback Calculated Property
Δfgas -736.51 kJ/mol Joback Calculated Property
Δfus 25.63 kJ/mol Joback Calculated Property
Δvap 81.66 kJ/mol Joback Calculated Property
logPoct/wat 0.61 Crippen Calculated Property
Pc 3985.56 kPa Joback Calculated Property
Tboil 730.93 K Joback Calculated Property
Tc 941.28 K Joback Calculated Property
Tfus 493.33 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.10 J/mol×K 730.93 Joback Calculated Property
η 0.00 Pa×s 730.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
-CH3 2
-OH (phenol) 1

Similar Compounds

Mandelic acid, 3,4-dimethoxy-, methyl ester. Methyl (3,4-dimethoxyphenyl)(methoxy)acetate. 3-Hydroxymandelic acid, dimethyl ether, methyl ester. 1,2-Dimethoxy-4-(1,2-dimethoxyethyl)benzene. 3-Hydroxymandelic acid, methyl ester. Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester. Ethyl homovanillate. Benzeneacetic acid, 3,4-dimethoxy-, methyl ester. Benzeneacetic acid, «alpha»-hydroxy-4-methoxy-, methyl ester. 4-(1-Hydroxyallyl)-2-methoxyphenol. Ethyl 3,4-dimethoxyphenyl acetate. (3-methoxy-4-hexyloxy-phenyl)-acetic acid, methyl ester. 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester. Homovanillic acid. 4-(1-ethoxy ethyl)-Guaiacol.

Find more compounds similar to Benzeneacetic acid, «alpha»,4-dihydroxy-3-methoxy-, methyl ester.

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