Chemical Properties of Benzenemethanol, «alpha»,«alpha»-dimethyl-, acetate (CAS 3425-72-7)

Benzenemethanol, «alpha»,«alpha»-dimethyl-, acetate

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InChI
InChI=1S/C11H14O2/c1-9(12)13-11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChI Key
XPMMKIYJJWQFOR-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CC(=O)OC(C)(C)c1ccccc1
Molecular Weight1
178.23
CAS
3425-72-7
Other Names
  • 1-methyl-1-phenylethyl acetate
  • 2-Propanol, 2-phenyl, acetate
  • Acetic acid, 2-phenyl-2-propyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -76.93 kJ/mol Joback Calculated Property
Δfgas -287.39 kJ/mol Joback Calculated Property
Δfus 13.66 kJ/mol Joback Calculated Property
Δvap 50.22 kJ/mol Joback Calculated Property
logPoct/wat 2.48 Crippen Calculated Property
Pc 2835.36 kPa Joback Calculated Property
Tboil 550.82 K Joback Calculated Property
Tc 773.39 K Joback Calculated Property
Tfus 314.73 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 349.74 J/mol×K 550.82 Joback Calculated Property
η 0.00 Pa×s 550.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
>C< 1
-CH3 3

Similar Compounds

p-Cymene-8-acetate. 2-Propanol, 2-phenyl, propanoate. 2-Propanol, 2-phenyl, butanoate. Benzenemethanol, «alpha»-methyl-, acetate. Benzenemethanol, «alpha»-methyl-, acetate. Ether, .alpha.,.alpha.-dimethylbenzyl propyl. Benzenemethanol, «alpha»-methyl-, propanoate. Benzene, (1-methoxy-1-methylethyl)-. Acetic acid, 1-phenylpropyl ester. 1-phenylethyl valerate. Glutaric acid, di(1-phenylethyl) ester. Glutaric acid, ethyl 1-phenylethyl ester. Glutaric acid, 1-phenylethyl propyl ester. Glutaric acid, butyl 1-phenylethyl ester. Formic acid, 1-phenylethyl ester.

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