Chemical Properties of Butanoic acid, 1,1-dimethyl-2-phenylethyl ester (CAS 10094-34-5)

Butanoic acid, 1,1-dimethyl-2-phenylethyl ester

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InChI
InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
InChI Key
SHSGYHAHMQLYRB-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCCC(=O)OC(C)(C)Cc1ccccc1
Molecular Weight1
220.31
CAS
10094-34-5
Other Names
  • 1,1-Dimethyl-2-phenylethyl butyrate
  • Benzyl dimethylcarbinyl butyrate
  • Benzyl dimethylcarbinyl n-butyrate
  • Butyric acid, «alpha»,«alpha»-dimethylphenethyl ester
  • Dimethyl benzyl carbinyl n-butyrate
  • Dimethylbenzylcarbinyl butyrate
  • «alpha»,«alpha»-Dimethylphenethyl alcohol, butyrate
  • «alpha»,«alpha»-Dimethylphenethyl butyrate
Sources

Physical Properties

Property Value Unit Source
Δf -51.67 kJ/mol Joback Calculated Property
Δfgas -349.31 kJ/mol Joback Calculated Property
Δfus 21.43 kJ/mol Joback Calculated Property
Δvap 56.89 kJ/mol Joback Calculated Property
logPoct/wat 3.35 Crippen Calculated Property
Pc 2131.49 kPa Joback Calculated Property
Tboil 619.46 K Joback Calculated Property
Tc 830.73 K Joback Calculated Property
Tfus 348.54 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 497.15 J/mol×K 619.46 Joback Calculated Property
η 0.00 Pa×s 619.46 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzeneethanol, «alpha»,«alpha»-dimethyl-, acetate. 2-Phenylethyl butyrate. 2-Pentanol, 4-methyl-1-phenyl, acetate. Valeric acid, 2-phenylethyl ester. Glutaric acid, but-3-yn-2-yl phenethyl ester. Butanoic acid, 3-methyl-, 2-phenylethyl ester. Butanoic acid, 2-methyl-, 2-phenylethyl ester. 2-Ethylbutyric acid, phenethyl ester. Hexanoic acid, 2-phenylethyl ester. Succinic acid, 3-methylbut-2-yl phenethyl ester. Glutaric acid, ethyl phenethyl ester. Glutaric acid, di(phenethyl) ester. Glutaric acid, 3-methylbut-2-yl phenethyl ester. Glutaric acid, phenethyl propyl ester. Glutaric acid, pentyl phenethyl ester.

Find more compounds similar to Butanoic acid, 1,1-dimethyl-2-phenylethyl ester.

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