Chemical Properties of Benzenemethanol, 4-methoxy-, acetate (CAS 104-21-2)

Benzenemethanol, 4-methoxy-, acetate

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InChI
InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChI Key
HFNGYHHRRMSKEU-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
COc1ccc(COC(C)=O)cc1
Molecular Weight1
180.20
CAS
104-21-2
Other Names
  • 4-Anisyl acetate
  • 4-Methoxybenzyl acetate
  • Acetic acid p-methoxybenzyl ester
  • Benzenemethanol, 4-methoxy-, 1-acetate
  • Benzyl alcohol, p-methoxy-, acetate
  • Cassie ketone
  • NSC 46102
  • p-Anisyl acetate
  • p-Methoxybenzyl acetate
  • p-Methoxybenzyl alcohol acetate
Sources

Physical Properties

Property Value Unit Source
Δf -202.82 kJ/mol Joback Calculated Property
Δfgas -401.69 kJ/mol Joback Calculated Property
Δfus 19.28 kJ/mol Joback Calculated Property
Δvap 52.36 kJ/mol Joback Calculated Property
logPoct/wat 1.76 Crippen Calculated Property
Pc 2976.29 kPa Joback Calculated Property
Tboil 410.00 K NIST
Tc 770.06 K Joback Calculated Property
Tfus 335.79 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 323.98 J/mol×K 558.57 Joback Calculated Property
η 0.00 Pa×s 558.57 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Anisyl acetate. Anisyl propionate. Benzenemethanol, 4-methoxy-, formate. Anisyl butyrate. Propanoic acid, 2-methyl-, (4-methoxyphenyl)methyl ester. Acetic acid, (4-(trifluoromethoxy)phenyl)methyl ester. Anisyl valerate. Glutaric acid, di(4-methoxybenzyl) ester. Succinic acid, di(4-methoxybenzyl) ester. Anisyl heptanoate. Diglycolic acid, ethyl 4-methoxybenzyl ester. 4-Methoxybenzoic acetic anhydride. Phenol, 2-methoxy-5-acetoxymethyl-. Formic acid, (4-(trifluoromethoxy)phenyl)methyl ester. Pimelic acid, ethyl 4-methoxybenzyl ester.

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