Chemical Properties of Benzeneethanol, «alpha»,«alpha»-dimethyl-, acetate (CAS 151-05-3)

Benzeneethanol, «alpha»,«alpha»-dimethyl-, acetate

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InChI
InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChI Key
FLUWAIIVLCVEKF-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CC(=O)OC(C)(C)Cc1ccccc1
Molecular Weight1
192.25
CAS
151-05-3
Other Names
  • 2-Methyl-1-phenyl-2-propyl acetate
  • Acetic acid «alpha»,«alpha»-dimethyl-«beta»-phenylethyl ester
  • Benzeneethanol, «alpha»,«alpha»-dimethyl-, 1-acetate
  • Benzyldimethylcarbinol acetate
  • Benzyldimethylcarbinyl acetate
  • DMBCA
  • Dimethylbenzylcarbinol acetate
  • Dimethylbenzylcarbinyl acetate
  • NSC 46123
  • Phenethyl alcohol, «alpha»,«alpha»-dimethyl-, acetate
  • «alpha»,«alpha»-Dimethylphenethyl acetate
  • «alpha»,«alpha»-Dimethylphenethyl alcohol, acetate
Sources

Physical Properties

Property Value Unit Source
Δf -68.51 kJ/mol Joback Calculated Property
Δfgas -308.03 kJ/mol Joback Calculated Property
Δfus 16.25 kJ/mol Joback Calculated Property
Δvap 52.44 kJ/mol Joback Calculated Property
logPoct/wat 2.57 Crippen Calculated Property
Pc 2566.29 kPa Joback Calculated Property
Tboil 573.70 K Joback Calculated Property
Tc 792.31 K Joback Calculated Property
Tfus 326.00 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 397.32 J/mol×K 573.7 Joback Calculated Property
η 0.00 Pa×s 573.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
>C< 1
-CH3 3

Similar Compounds

Butanoic acid, 1,1-dimethyl-2-phenylethyl ester. 1-(4-Methylthiophenyl)-2-propanol, acetate. 2-Methyl-1-phenyl-2-propanol. 2-Pentanol, 4-methyl-1-phenyl, acetate. Acetic acid, 2-phenylethyl ester. Glycolic acid, phenethyl ester. Propanoic acid, 2-phenylethyl ester. Propanoic acid, 2-methyl-, 2-phenylethyl ester. 2-Phenethyl-.beta.-phenylpropionate. Diglycolic acid, ethyl phenethyl ester. Diglycolic acid, di(phenethyl) ester. 1-(4-Fluorophenyl)-2-methyl-2-propanol. Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester. P-chloro-.alpha.,.alpha.-dimethylphenethyl alcohol. Diglycolic acid, phenethyl propyl ester.

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