Chemical Properties of neo-Isopulegyl acetate

neo-Isopulegyl acetate

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InChI
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,12H,5-7H2,1-4H3
InChI Key
ZAPTZQHAWAYFSW-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
CC(=O)OC1CC(C)CCC1=C(C)C
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -130.11 kJ/mol Joback Calculated Property
Δfgas -435.59 kJ/mol Joback Calculated Property
Δfus 21.54 kJ/mol Joback Calculated Property
Δvap 52.45 kJ/mol Joback Calculated Property
logPoct/wat 3.07 Crippen Calculated Property
Pc 2229.20 kPa Joback Calculated Property
Tboil 571.65 K Joback Calculated Property
Tc 780.75 K Joback Calculated Property
Tfus 296.70 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 436.34 J/mol×K 571.65 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Pulegol acetate. Neopulegyl acetate. iso-isopulegol acetate. (6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-. (6R,7aS)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one. trans-Menthone lactone. p-mentha-1(7),8-dien-2-yl acetate. trans-p-Mentha-1(7),8-dien-2-yl ac.. trans-Carveyl acetate. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-. 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate. Cyclohexanol, 2-methylene-3-(1-methylethenyl)-, acetate, cis-. (-)-(1R,3R,6S,10S)-3.alpha.-Acetoxyamorpha-4,7(11)-diene. trans-Carvyl propionate.

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