Chemical Properties of Benzoic acid 4-ethoxy-5-methoxy-2-methoxymethyl-tetrahydro-pyran-3-yl ester

Benzoic acid 4-ethoxy-5-methoxy-2-methoxymethyl-tetrahydro-pyran-3-yl ester

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InChI
InChI=1S/C17H24O6/c1-4-22-16-8-12(10-19-2)14(9-15(16)20-3)17(18)23-13-6-5-7-21-11-13/h8-9,13H,4-7,10-11H2,1-3H3
InChI Key
ZOBJKVPYWJIBMW-UHFFFAOYSA-N
Formula
C17H24O6
SMILES
CCOc1cc(COC)c(C(=O)OC2CCCOC2)cc1OC
Molecular Weight1
324.37
Sources

Physical Properties

Property Value Unit Source
Δf -434.81 kJ/mol Joback Calculated Property
Δfgas -911.23 kJ/mol Joback Calculated Property
Δfus 38.82 kJ/mol Joback Calculated Property
Δvap 79.02 kJ/mol Joback Calculated Property
logPoct/wat 2.58 Crippen Calculated Property
Pc 1775.84 kPa Joback Calculated Property
Tboil 820.03 K Joback Calculated Property
Tc 1037.10 K Joback Calculated Property
Tfus 518.13 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 768.63 J/mol×K 820.03 Joback Calculated Property
η 0.00 Pa×s 820.03 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid 5-ethoxy-4-methoxy-2-methoxymethyl-tetrahydro-pyran-3-yl ester. Benzoic acid 4-ethoxy-2-ethoxymethyl -5-methoxy-tetrahydro-pyran-3-yl ester. Benzoic acid 5-ethoxy-2-ethoxymethyl-4-methoxy-tetrahydro-pyran-3-yl ester. Benzoic acid 4,5-diethoxy-2-methoxymethyl-tetrahydro-pyran-3-yl ester. Benzoic acid 4,5-diethoxy-2-ethoxymethyl-tetrahydro-pyran-3-yl ester. Benzoic acid 4,5-dimethoxy-2-methoxy methyl-tetrahydro-pyran-3-yl ester. Benzoic acid 2-ethoxymethyl-4,5-dimethoxy-tetrahydro-pyran-3-yl ester. n-Butyl 3,4-dimethoxybenzoate. Propyl 3,4,5-triacetoxybenzoate. Vanillyl epoxijaeschkeanadiol. Phthalic acid, hexyl 3-methoxybenzyl ester. Phthalic acid, 3-methoxybenzyl pentyl ester. Phthalic acid, 3-methoxybenzyl nonyl ester. Phthalic acid, 3-methoxybenzyl tetradecyl ester. Phthalic acid, 3-methoxybenzyl tridecyl ester.

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