Chemical Properties of 5-methyl-2-(isopropyl)phenyl isovalerate (CAS 69844-33-3)

5-methyl-2-(isopropyl)phenyl isovalerate

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

InChI
InChI=1S/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3
InChI Key
NZIACPHCVAFJBR-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
Cc1ccc(C(C)C)c(OC(=O)CC(C)C)c1
Molecular Weight1
234.33
CAS
69844-33-3
Other Names
  • Thymyl isovalerate
Sources

Physical Properties

Property Value Unit Source
Δf -70.23 kJ/mol Joback Calculated Property
Δfgas -394.70 kJ/mol Joback Calculated Property
Δfus 23.61 kJ/mol Joback Calculated Property
Δvap 60.96 kJ/mol Joback Calculated Property
logPoct/wat 4.07 Crippen Calculated Property
Pc 1898.60 kPa Joback Calculated Property
Tboil 654.65 K Joback Calculated Property
Tc 861.20 K Joback Calculated Property
Tfus 352.43 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 546.69 J/mol×K 654.65 Joback Calculated Property
η 0.00 Pa×s 654.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

thymyl valerate. 6-Methoxythymyl isobutyrate. Thymyl 2-methylbutyrate. Thymyl isobutyrate. 6-Methoxythymyl 2-methylbutyrate. Phenol, 5-methyl-2-(1-methylethyl)-, acetate. Thymyl methacrylate. 6-Methoxythymyl isobutyrate. isothymyl butyrate. Glutaric acid, di(2-isopropylphenyl) ester. Sebacic acid, di(2-isopropylphenyl) ester. 2-Ethylbutyric acid, 2-isopropylphenyl ester. 8,9-Dehydrothymyl isovalerate. Thymyl tiglate. Thymyl angelate.

Find more compounds similar to 5-methyl-2-(isopropyl)phenyl isovalerate.

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.