Chemical Properties of isothymyl butyrate

isothymyl butyrate

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

InChI
InChI=1S/C14H20O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h7-10H,5-6H2,1-4H3
InChI Key
TUGCSLQMXFBHFI-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCCC(=O)Oc1cc(C(C)C)ccc1C
Molecular Weight1
220.31
Sources

Physical Properties

Property Value Unit Source
Δf -76.21 kJ/mol Joback Calculated Property
Δfgas -368.78 kJ/mol Joback Calculated Property
Δfus 24.54 kJ/mol Joback Calculated Property
Δvap 59.13 kJ/mol Joback Calculated Property
logPoct/wat 3.82 Crippen Calculated Property
Pc 2053.03 kPa Joback Calculated Property
Tboil 632.21 K Joback Calculated Property
Tc 837.91 K Joback Calculated Property
Tfus 356.16 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 493.94 J/mol×K 632.21 Joback Calculated Property
η 0.00 Pa×s 632.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 2
-CH3 4

Similar Compounds

Carvacrol isobutyrate. Phenol, 2-methyl-5-(1-methylethyl)-, acetate. Phenol, 2-methyl-5-(1-methylethyl)-, acetate. 5-Isopropyl-2-methylphenyl 3,5,5-trimethylhexanoate. thymyl valerate. 6-Methoxythymyl isobutyrate. 5-methyl-2-(isopropyl)phenyl isovalerate. 6-Methoxythymyl 2-methylbutyrate. Thymyl 2-methylbutyrate. 6-Methoxythymyl isobutyrate. Glutaric acid, di(2,5-dimethylphenyl) ester. Sebacic acid, di(2,5-dimethylphenyl) ester. Thymyl isobutyrate. Carvacrol, ethyl ether. 8,9-Dehydrothymol isobutyrate.

Find more compounds similar to isothymyl butyrate.

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.