Chemical Properties of geranial propylene glycol acetal (isomer)

geranial propylene glycol acetal (isomer)

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InChI
InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8+
InChI Key
DWZRENGNFQNWQZ-DHZHZOJOSA-N
Formula
C13H22O2
SMILES
CC(C)=CCCC(C)=CC1OCC(C)O1
Molecular Weight1
210.31
Sources

Physical Properties

Property Value Unit Source
Δf 58.52 kJ/mol Joback Calculated Property
Δfgas -320.65 kJ/mol Joback Calculated Property
Δfus 38.17 kJ/mol Joback Calculated Property
Δvap 53.58 kJ/mol Joback Calculated Property
logPoct/wat 3.44 Crippen Calculated Property
Pc 2023.58 kPa Joback Calculated Property
Tboil 569.43 K Joback Calculated Property
Tc 774.18 K Joback Calculated Property
Tfus 257.99 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 479.81 J/mol×K 569.43 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3,7-Dimethyl-2,6-octadienal, dimethyl acetal. geranial dimethyl acetal. neral dimethyl acetal. neral propylene glycol acetal (isomer). Geranyl 2-butyl ether. Geranyl ethyl ether, # 1. Geranyl ethyl ether 1. Geranyl propionate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl isobutanoate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate. (Z)-Farnesyl acetate. Farnesyl acetate. 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-.

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