Chemical Properties of 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde (CAS 141891-14-7)

4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde

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InChI
InChI=1S/C10H14O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h5,8,12H,4H2,1-3H3
InChI Key
PNYLZZYIHSNTOD-UHFFFAOYSA-N
Formula
C10H14O3
SMILES
CC1=C(C=O)C(C)(C)CC(O)C1=O
Molecular Weight1
182.22
CAS
141891-14-7
Sources

Physical Properties

Property Value Unit Source
Δf -303.66 kJ/mol Joback Calculated Property
Δfgas -541.18 kJ/mol Joback Calculated Property
Δfus 14.60 kJ/mol Joback Calculated Property
Δvap 66.09 kJ/mol Joback Calculated Property
logPoct/wat 0.86 Crippen Calculated Property
Pc 3250.43 kPa Joback Calculated Property
Tboil 661.10 K Joback Calculated Property
Tc 873.46 K Joback Calculated Property
Tfus 426.34 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 396.61 J/mol×K 661.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
-OH (alcohol) 1
=C< (ring) 2
O=CH- (aldehyde) 1
>C< (ring) 1
-CH3 3
>CH- (ring) 1
-CH2- (ring) 1

Similar Compounds

4-Hydroxy-2,6,6-trimethylcyclohex-1-enecarbaldehyde. 1-(4-hydroxy-2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-one. 2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxaldehyde. Lippifoli-1(6)-en-4 .beta.-ol-5-one. 4-hydroxy-«beta»-damascone. 2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-. (-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one. ent-7-Hydroxy-eudesm-4-en-6-one. 7«alpha»-Hydroxyeudesm-4-en-6-one. carissone. (2R,3R,4aR,5S)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one. 4-Hydroxy-7,8-dihydro-«beta»-ionone. 6-hydroxycarvotanacetone. 4-Oxo-«beta»-isodamascol. (7,7-Dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)acetic acid.

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