Hexadecanoic acid, methyl ester

Formula: C₁₇H₃₄O₂
Molecular weight: 270.4507
IUPAC Standard InChI: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
IUPAC Standard InChIKey: FLIACVVOZYBSBS-UHFFFAOYSA-N
CAS Registry Number: 112-39-0
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Palmitic acid, methyl ester; n-Hexadecanoic acid methyl ester; Metholene 2216; Methyl hexadecanoate; Methyl n-hexadecanoate; Methyl palmitate; Uniphat A60; Emery 2216; Radia 7120; Acide hexadecanoique methyl ester
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Condensed phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-344.60 ± 0.91	kcal/mol	Ccb	Gerasimov, Blokh, et al., 1986	Authors Hf298_condensed=-762.4±3.8 kJ/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-2415.63 ± 0.91	kcal/mol	Ccb	Gerasimov, Blokh, et al., 1986	Authors Hf298_condensed=-762.4±3.8 kJ/mol; Corresponding Δ_fHº_liquid = -344.60 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-2550.0 ± 0.1	kcal/mol	Ccb	Freedman, Bagby, et al., 1989	Corresponding Δ_fHº_solid = -210.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	118.33	cal/mol*K	N/A	Wirth, Droege, et al., 1956	DH

Constant pressure heat capacity of solid

C_p,solid (cal/mol*K)	Temperature (K)	Reference	Comment
113.40	298.15	Wirth, Droege, et al., 1956	T = 15 to 297 K.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

Gerasimov, Blokh, et al., 1986
Gerasimov, P.A.; Blokh, E.L.; Gubareva, A.I.; Gazhdiev, S.N., Standard heats of formation of intermediates of vitamin A, Termodin. Org. Soedin., 1986, 26-27. [all data]

Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H., Correlation of heats of combustion with empirical formulas for fatty alcohols, J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]

Wirth, Droege, et al., 1956
Wirth, H.E.; Droege, J.W.; Wood, J.H., Low temperature heat capacity of palmitic acid and methyl palmitate, J. Phys. Chem., 1956, 60, 917-919. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, References

Symbols used in this document:

C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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