Chemical Properties of o-Anisic acid, dodec-9-ynyl ester

o-Anisic acid, dodec-9-ynyl ester

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InChI
InChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-11-14-17-23-20(21)18-15-12-13-16-19(18)22-2/h12-13,15-16H,3,6-11,14,17H2,1-2H3
InChI Key
DPANNRKOCCGDMQ-UHFFFAOYSA-N
Formula
C20H28O3
SMILES
CCC#CCCCCCCCCOC(=O)c1ccccc1OC
Molecular Weight1
316.43
Sources

Physical Properties

Property Value Unit Source
Δf 84.18 kJ/mol Joback Calculated Property
Δfgas -335.79 kJ/mol Joback Calculated Property
Δfus 48.30 kJ/mol Joback Calculated Property
Δvap 76.77 kJ/mol Joback Calculated Property
logPoct/wat 5.00 Crippen Calculated Property
Pc 1442.44 kPa Joback Calculated Property
Tboil 796.37 K Joback Calculated Property
Tc 1001.55 K Joback Calculated Property
Tfus 554.59 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 807.92 J/mol×K 796.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 4
#C- 2
=C< (ring) 2
-CH2- 9
-CH3 2

Similar Compounds

O-methoxybenzoic acid, octadecyl ester. O-methoxybenzoic acid, hexadecyl ester. o-Methoxybenzoic acid, tetradecyl ester. o-Anisic acid, nonyl ester. o-Methoxybenzoic acid, octyl ester. O-methoxybenzoic acid, pentadecyl ester. o-Anisic acid, undecyl ester. o-Methoxybenzoic acid, tridecyl ester. O-anisic acid, heptadecyl ester. O-methoxybenzoic acid, decyl ester. O-methoxybenzoic acid, heptyl ester. Benzoic acid, 2-methoxy-, hexyl ester. o-Methoxybenzoic acid, pentyl ester. Benzoic acid, 2-methoxy-, butyl ester. Benzoic acid, 2-methoxy-, 3-methylbutyl ester.

Find more compounds similar to o-Anisic acid, dodec-9-ynyl ester.

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