Chemical Properties of 2-pinen-10-yl isobutyrate (CAS 29021-37-2)

2-pinen-10-yl isobutyrate

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

InChI
InChI=1S/C14H22O2/c1-9(2)13(15)16-8-10-5-6-11-7-12(10)14(11,3)4/h5,9,11-12H,6-8H2,1-4H3
InChI Key
HPAQTXNDJUZELN-UHFFFAOYSA-N
Formula
C14H22O2
SMILES
CC(C)C(=O)OCC1=CCC2CC1C2(C)C
Molecular Weight1
222.32
CAS
29021-37-2
Other Names
  • Myrtenyl isobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -52.83 kJ/mol Joback Calculated Property
Δfgas -401.72 kJ/mol Joback Calculated Property
Δfus 21.06 kJ/mol Joback Calculated Property
Δvap 55.02 kJ/mol Joback Calculated Property
logPoct/wat 3.178 Crippen Calculated Property
Pc 2085.03 kPa Joback Calculated Property
Tboil 613.03 K Joback Calculated Property
Tc 821.06 K Joback Calculated Property
Tfus 370.00 K Joback Calculated Property
Vc 0.727 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 520.27 J/mol×K 613.03 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Myrtenyl 2-methyl butyrate. myrtenyl 3-methylbutanoate. Myrtenyl acetate. Myrtenyl hexanoate. Myrtenyl 3-methylvalerate. Myrtenyl laureate. Myrtenyl caprate. Glutaric acid, di(myrtenyl) ester. Glutaric acid, myrtenyl 3-methylbut-2-en-1-yl ester. Myrtenyl angelate. Glutaric acid, myrtenyl 2-ethylhexyl ester. Glutaric acid, myrtenyl cyclohexylmethyl ester. Glutaric acid, myrtenyl 8-chlorooctyl ester. Glutaric acid, myrtenyl 3-methylbut-2-yl ester. Myrtenyl formate.

Find more compounds similar to 2-pinen-10-yl isobutyrate.

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.