Chemical Properties of Riesling acetal

Riesling acetal

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InChI
InChI=1S/C12H18O2/c1-10(2)6-4-7-11(3)12(10)8-5-9(13-11)14-12/h4,7,9H,5-6,8H2,1-3H3
InChI Key
DFJRLXSMMWWPFG-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
CC12C=CCC(C)(C)C13CCC(O2)O3
Molecular Weight1
194.27
Sources

Physical Properties

Property Value Unit Source
Δf 41.75 kJ/mol Joback Calculated Property
Δfgas -265.77 kJ/mol Joback Calculated Property
Δfus 16.40 kJ/mol Joback Calculated Property
Δvap 47.94 kJ/mol Joback Calculated Property
logPoct/wat 2.64 Crippen Calculated Property
Pc 3052.41 kPa Joback Calculated Property
Tboil 551.83 K Joback Calculated Property
Tc 794.31 K Joback Calculated Property
Tfus 393.14 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 417.84 J/mol×K 551.83 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,2,6,8-Tetramethyl-7,11-dioxatricyclo(6.2.1.0)-1,6-undec-4-ene. Riesling acetal. 4-.alpha.,7-Epoxy-11-methoxy-10-.beta.-H-spirovetiv-2-ene. 3,6-Epoxy-7-megastigmen-5,9-diol .beta.-D-glucopyranoside, TFA. epi-Me-dihydrophaseic acid. Me-dihydrophaseic acid. epi-Me-2-trans-dihydrophaseic acid. Me-2-trans-dihydrophaseic acid. Me-dihydrophaseic acid-Ac. epi-Me-dihydrophaseic acid-Ac. 7,11:8,12-Di-epoxy-eremophil-9-ene, epimer A. 7,11;8,12-Diepoxy-eremophil-9-ene (epimer B). 7,11;8,12-Diepoxy-eremophil-9-ene (epimer A). 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(2Z,4E)]]-. Methyl phaseate.

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