Chemical Properties of Benzeneacetic acid, 2-methylpropyl ester (CAS 102-13-6)

Benzeneacetic acid, 2-methylpropyl ester

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

InChI
InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key
RJASFPFZACBKBE-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CC(C)COC(=O)Cc1ccccc1
Molecular Weight1
192.25
CAS
102-13-6
Other Names
  • 2-Methylpropyl phenylacetate
  • Acetic acid, phenyl-, isobutyl ester
  • Iphaneine
  • Isobutyl phenylacetate
  • Isobutyl phenylethanoate
  • Isobutyl «alpha»-toluate
  • NSC 6602
  • Phenylacetic acid, 2-methylpropyl ester
  • Phenylacetic acid, isobutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -73.79 kJ/mol Joback Calculated Property
Δfgas -304.56 kJ/mol Joback Calculated Property
Δfus 20.14 kJ/mol Joback Calculated Property
Δvap 53.35 kJ/mol Joback Calculated Property
logPoct/wat 2.43 Crippen Calculated Property
Pc 2537.93 kPa Joback Calculated Property
Tboil 576.49 K Joback Calculated Property
Tc 786.80 K Joback Calculated Property
Tfus 308.58 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.41 J/mol×K 576.49 Joback Calculated Property
η 0.00 Pa×s 576.49 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- 2
-CH3 2

Similar Compounds

Phenylacetic acid propyl ester. Phenylacetic acid, 2-methylbutyl ester. Benzeneacetic acid, butyl ester. Benzeneacetic acid, ethyl ester. Acetic acid, phenyl-, isopentyl ester. Pentyl phenylacetate. Benzeneacetic acid, hexyl ester. Acetic acid, phenyl-, 3-hexenyl ester. cis-3-Hexenyl phenyl acetate. Ethyl-p-tolylacetate. Benzeneacetic acid 1-methylethyl ester. Benzeneacetic acid, 2-propenyl ester. Benzeneacetic acid, heptyl ester. Benzeneacetic acid, octyl ester. Benzeneacetic acid, nonyl ester.

Find more compounds similar to Benzeneacetic acid, 2-methylpropyl 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.