Chemical Properties of ((1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl)methyl acetate (CAS 54999-63-2)

((1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl)methyl acetate

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

InChI
InChI=1S/C12H20O2/c1-8(2)6-10-11(12(10,4)5)7-14-9(3)13/h6,10-11H,7H2,1-5H3/t10-,11-/m0/s1
InChI Key
OTWVMTYIYNDIOQ-QWRGUYRKSA-N
Formula
C12H20O2
SMILES
CC(C)=CC1C(COC(C)=O)C1(C)C
Molecular Weight1
196.29
CAS
54999-63-2
Sources

Physical Properties

Property Value Unit Source
Δf -72.25 kJ/mol Joback Calculated Property
Δfgas -381.02 kJ/mol Joback Calculated Property
Δfus 22.49 kJ/mol Joback Calculated Property
Δvap 49.64 kJ/mol Joback Calculated Property
logPoct/wat 2.79 Crippen Calculated Property
Pc 2147.32 kPa Joback Calculated Property
Tboil 551.93 K Joback Calculated Property
Tc 750.39 K Joback Calculated Property
Tfus 311.48 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 432.84 J/mol×K 551.93 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethyl chrysanthemate. trans-Chrysanthemol. cis-Chrysanthemyl alcohol. Norchrysanthemic acid methyl ester. (1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid. Chrysanthemic acid. 10-epi-Italicen-12-yl acetate. Italicen-12-yl acetate. trans-«alpha»-Necrodyl acetate. cis-«alpha»-Necrodyl acetate. 10-epi-Italicen-12-yl isobutyrate. Italicen-12-yl isobutyrate. 1,2,3,6-Tetrahydrobenzylalcohol, acetate. Italicen-12-yl isovalerate. 10-epi-Italicen-12-yl isovalerate.

Find more compounds similar to ((1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl)methyl acetate.

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.