Chemical Properties of Glutaric acid, di(myrtenyl) ester

Glutaric acid, di(myrtenyl) ester

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InChI
InChI=1S/C25H36O4/c1-24(2)18-10-8-16(20(24)12-18)14-28-22(26)6-5-7-23(27)29-15-17-9-11-19-13-21(17)25(19,3)4/h8-9,18-21H,5-7,10-15H2,1-4H3
InChI Key
IPAYWXFLWLCLLO-UHFFFAOYSA-N
Formula
C25H36O4
SMILES
CC1(C)C2CC1C(COC(=O)CCCC(=O)OCC1=CCC3CC1C3(C)C)=CC2
Molecular Weight1
400.55
Sources

Physical Properties

Property Value Unit Source
Δf -75.16 kJ/mol Joback Calculated Property
Δfgas -687.63 kJ/mol Joback Calculated Property
Δfus 45.63 kJ/mol Joback Calculated Property
Δvap 88.54 kJ/mol Joback Calculated Property
logPoct/wat 5.228 Crippen Calculated Property
Pc 1197.30 kPa Joback Calculated Property
Tboil 958.90 K Joback Calculated Property
Tc 1183.19 K Joback Calculated Property
Tfus 646.43 K Joback Calculated Property
Vc 1.262 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1175.84 J/mol×K 958.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 4
=CH- (ring) 2
=C< (ring) 2
-CH2- 5
>C< (ring) 2
>C=O (nonring) 2
>CH- (ring) 4
-CH2- (ring) 4

Similar Compounds

Glutaric acid, myrtenyl 3-methylbut-2-en-1-yl ester. Glutaric acid, myrtenyl 8-chlorooctyl ester. Glutaric acid, myrtenyl 2-ethylhexyl ester. Glutaric acid, myrtenyl cyclohexylmethyl ester. Myrtenyl hexanoate. Myrtenyl 3-methylvalerate. Myrtenyl caprate. Myrtenyl laureate. myrtenyl 3-methylbutanoate. Glutaric acid, myrtenyl 3-methylbut-2-yl ester. Glutaric acid, myrtenyl hept-2-yl ester. Glutaric acid, myrtenyl dec-2-yl ester. 2-pinen-10-yl isobutyrate. Myrtenyl 2-methyl butyrate. Glutaric acid, myrtenyl 2-methylpent-3-yl ester.

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