Chemical Properties of 1,3-Benzenediol, monobenzoate (CAS 136-36-7)

1,3-Benzenediol, monobenzoate

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InChI
InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
InChI Key
GDESWOTWNNGOMW-UHFFFAOYSA-N
Formula
C13H10O3
SMILES
O=C(Oc1cccc(O)c1)c1ccccc1
Molecular Weight1
214.22
CAS
136-36-7
Other Names
  • 3-Hydroxyphenyl benzoate
  • Benzoic acid resorcinol ester
  • Benzoic acid, m-hydroxyphenyl ester
  • Eastman Inhibitor RMB
  • Resorcinol benzoate
  • Resorcinol, monobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -105.14 kJ/mol Joback Calculated Property
Δfgas -260.70 kJ/mol Joback Calculated Property
Δfus 26.08 kJ/mol Joback Calculated Property
Δvap 71.25 kJ/mol Joback Calculated Property
logPoct/wat 2.61 Crippen Calculated Property
Pc 3862.67 kPa Joback Calculated Property
Tboil 707.11 K Joback Calculated Property
Tc 962.79 K Joback Calculated Property
Tfus 472.99 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 413.44 J/mol×K 707.11 Joback Calculated Property
η 0.00 Pa×s 707.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 3
>C=O (nonring) 1
-OH (phenol) 1
=CH- (ring) 9

Similar Compounds

Resorcinol dibenzoate. Terephthalic acid, di(3-methoxyphenyl) ester. Benzoic acid, phenyl ester. 1,4-Benzenediol, monobenzoate. Benzoic acid, 4-methylphenyl ester. Benzoic acid, 4-methyl-, phenyl ester. Diphenyl terephthalate. Benzoic acid, 4-methoxy-, phenyl ester. Benzoic acid, 3-methylphenyl ester. p-Toluic acid, 4-benzyloxyphenyl ester. P-toluic acid, 4-methoxyphenyl ester. 4-Fluorobenzoic acid, phenyl ester. 3-Methoxyphenyl salicylate. 4-Bromobenzoic acid, phenyl ester. Benzoic acid, 2-naphthyl ester.

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