Chemical Properties of Butanoic acid, 2-methyl-, 2-phenylethyl ester (CAS 24817-51-4)

Butanoic acid, 2-methyl-, 2-phenylethyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChI Key
KVKKTLBBYFABAZ-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCC(C)C(=O)OCCc1ccccc1
Molecular Weight1
206.28
CAS
24817-51-4
Other Names
  • 2-Phenylethyl 2-methylbutanoate
  • 2-Phenylethyl 2-methylbutyrate
  • Butyric acid, 2-methyl-, phenethyl ester
  • FEMA 3632
  • Phenethyl 2-methylbutanoate
  • Phenethyl 2-methylbutyrate
  • Phenylethyl 2-methylbutanoate
  • Phenylethyl 2-methylbutyrate
  • «beta»-Phenethyl «alpha»-methylbutanoate
Sources

Physical Properties

Property Value Unit Source
Δf -65.37 kJ/mol Joback Calculated Property
Δfgas -325.20 kJ/mol Joback Calculated Property
Δfus 22.73 kJ/mol Joback Calculated Property
Δvap 55.58 kJ/mol Joback Calculated Property
logPoct/wat 2.82 Crippen Calculated Property
Pc 2309.17 kPa Joback Calculated Property
Tboil 599.37 K Joback Calculated Property
Tc 806.35 K Joback Calculated Property
Tfus 319.85 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.71 J/mol×K 599.37 Joback Calculated Property
η 0.00 Pa×s 599.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
-CH3 2

Similar Compounds

2-Ethylbutyric acid, phenethyl ester. 2-Phenylethyl butyrate. Propanoic acid, 2-methyl-, 2-phenylethyl ester. Butanoic acid, 3-methyl-, 2-phenylethyl ester. Propanoic acid, 2,2-dimethyl-, 2-phenylethyl ester. Valeric acid, 2-phenylethyl ester. Hexanoic acid, 2-phenylethyl ester. Propanoic acid, 2-phenylethyl ester. Succinic acid, phenethyl 2-methylbutyl ester. Pimelic acid, ethyl phenethyl ester. Pimelic acid, di(phenethyl) ester. Heptanoic acid, 2-phenylethyl ester. Nonanoic acid, 2-phenylethyl ester. Phenethyl icosanoate. Phenethyl tetradecanoate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.