Chemical Properties of Benzoic acid, 2,6-dihydroxy-, methyl ester (CAS 2150-45-0)

Benzoic acid, 2,6-dihydroxy-, methyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3
InChI Key
WCQZCKUNZVMBDC-UHFFFAOYSA-N
Formula
C8H8O4
SMILES
COC(=O)c1c(O)cccc1O
Molecular Weight1
168.15
CAS
2150-45-0
Other Names
  • 2,6-Dihydroxybenzoic acid methyl ester
  • Methyl 2,6-dihydroxybenzoate
  • «gamma»-Resorcylic acid, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -414.27 kJ/mol Joback Calculated Property
Δfgas -571.34 kJ/mol Joback Calculated Property
Δfus 24.87 kJ/mol Joback Calculated Property
Δvap 70.86 kJ/mol Joback Calculated Property
logPoct/wat 0.88 Crippen Calculated Property
Pc 5818.28 kPa Joback Calculated Property
Tboil 646.65 K Joback Calculated Property
Tc 888.33 K Joback Calculated Property
Tfus 501.94 K Joback Calculated Property
Vc 0.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 299.69 J/mol×K 646.65 Joback Calculated Property
η 0.00 Pa×s 646.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2-hydroxy-, methyl ester. Methyl 2,4,6-trihydroxybenzoate. Verimol K. Methyl 2,6-dihydroxy-4-methylbenzoate. Methyl 2,4-dihydroxybenzoate. Benzoic acid, 2,6-dihydroxy-. Benzoic acid, 2-hydroxy-, ethyl ester. Benzoic acid, 2-hydroxy-, phenylmethyl ester. Benzoic acid, 2-hydroxy-, 2-propenyl ester. Benzoic acid, 2-hydroxy-, 1-methylethyl ester. Methyl 2-hydroxy-6-methoxybenzoate. 2-Hydroxyethyl salicylate. Salicylic acid, n-propyl ester. Benzoic acid, 2,6-dimethoxy-, methyl ester. Benzoic acid, 2,5-dihydroxy-, methyl ester.

Find more compounds similar to Benzoic acid, 2,6-dihydroxy-, methyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.