Chemical Properties of 3-Methylbenzyl acetate (CAS 17369-57-2)

3-Methylbenzyl acetate

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InChI
InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3
InChI Key
QPTQLFCBVFKFLY-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CC(=O)OCc1cccc(C)c1
Molecular Weight1
164.20
CAS
17369-57-2
Other Names
  • Acetic acid, (3-methylphenyl)methyl ester
  • Benzenemethanol, 3-methyl-, acetate
  • m-Methylbenzyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -97.82 kJ/mol Joback Calculated Property
Δfgas -269.47 kJ/mol Joback Calculated Property
Δfus 18.10 kJ/mol Joback Calculated Property
Δvap 49.95 kJ/mol Joback Calculated Property
logPoct/wat 2.06 Crippen Calculated Property
Pc 3032.27 kPa Joback Calculated Property
Tboil 536.15 K Joback Calculated Property
Tc 749.95 K Joback Calculated Property
Tfus 313.56 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 300.27 J/mol×K 536.15 Joback Calculated Property
η 0.00 Pa×s 536.15 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 1
-CH3 2

Similar Compounds

1,3,5-tris-(Hydroxymethyl)benzene triacetate. (3-Methylphenyl) methanol, ethyl ether. Formic acid, (3-methylphenyl)methyl ester. Benzyl ethanoate. (3-Methylphenyl) methanol, isopropyl ether. (3-Methylphenyl) methanol, n-propyl. P-methyl benzyl acetate. Succinic acid, di(3-methylbenzyl) ester. (3-Methylphenyl) methanol, tert.-butyl ether. Glutaric acid, di(3-methylbenzyl) ester. (3-Methylphenyl) methanol, n-butyl ether. Benzyl 2-bromoacetate. (3-Methylphenyl) methanol, 2-methylpropyl ether. Propanoic acid, phenylmethyl ester. (3-Methylphenyl) methanol, n-pentyl ether.

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