Chemical Properties of Heneicosanoic acid, methyl ester (CAS 6064-90-0)

Heneicosanoic acid, methyl ester

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InChI
InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3
InChI Key
AJRICDSAJQHDSD-UHFFFAOYSA-N
Formula
C22H44O2
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC
Molecular Weight1
340.58
CAS
6064-90-0
Other Names
  • 21:0 Me ester
  • Methyl heneicosanoate
  • Methyl heneicosanoate (C-21)
  • Methyl henicosanoate
  • methyl henicosaneate
Sources

Physical Properties

Property Value Unit Source
Δf -99.56 kJ/mol Joback Calculated Property
Δfgas -742.21 kJ/mol Joback Calculated Property
Δfus 55.52 kJ/mol Joback Calculated Property
Δvap 73.72 kJ/mol Joback Calculated Property
logPoct/wat 7.59 Crippen Calculated Property
Pc 927.24 kPa Joback Calculated Property
Tboil 480.20 K NIST
Tc 955.69 K Joback Calculated Property
Tfus 409.86 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1031.01 J/mol×K 779.05 Joback Calculated Property
η 0.00 Pa×s 779.05 Joback Calculated Property
ΔfusH 75.10 kJ/mol 321.2 NIST
ΔvapH 95.60 kJ/mol 494.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 19
>C=O (nonring) 1
-CH3 2

Similar Compounds

Tetradecanoic acid, methyl ester. Octanoic acid, methyl ester. Nonanoic acid, 9-oxo-, methyl ester. methyl tritriacontanoate. Tetracosanoic acid, methyl ester. Sebacic acid monomethyl ester. Nonanedioic acid, monomethyl ester. Undecanoic acid, methyl ester. Pentadecanoic acid, methyl ester. 29:0, Methyl ester. 10-Hydroxydecanoic acid, methyl ester. Hexadecanoic acid, methyl ester. Octacosanoic acid, methyl ester. Tridecanoic acid, methyl ester. Dodecanoic acid, 12-hydroxy-, methyl ester.

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