n-Hexadecanoic acid
- Formula: C16H32O2
- Molecular weight: 256.4241
- IUPAC Standard InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
- IUPAC Standard InChIKey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
- CAS Registry Number: 57-10-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Hexadecanoic acid; n-Hexadecoic acid; Palmitic acid; Pentadecanecarboxylic acid; 1-Pentadecanecarboxylic acid; Cetylic acid; Emersol 140; Emersol 143; Hexadecylic acid; Hydrofol; Hystrene 8016; Hystrene 9016; Industrene 4516; Glycon P-45; Prifac 2960; NSC 5030; Palmitinic acid; Kortacid 1695; 60605-23-4; 116860-99-2; 212625-86-0; Hexadecanoic acid (palmitic acid); Hexadecanoic (palmitic) acid; Palmitic acid (hexadecanoic acid)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -730.0 ± 5.5 | kJ/mol | N/A | Lebedeva, 1964 | Value computed using ΔfHliquid° value of -848.4±2.2 kj/mol from Lebedeva, 1964 and ΔvapH° value of 118.4±5.0 kj/mol from n-alkanoic correlation. |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -848.4 ± 2.2 | kJ/mol | Ccb | Lebedeva, 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -841.0 ± 1.9 kJ/mol; Hfusion =13.86±0.15 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -9977.2 ± 1.6 | kJ/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Hfusion=53.4kJ/mol; Corresponding ΔfHºliquid = -892.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -10028.6 ± 1.9 | kJ/mol | Ccb | Lebedeva, 1964 | Hfusion =13.86±0.15 kcal/mol; Corresponding ΔfHºliquid = -840.82 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -9977.6 ± 8.8 | kJ/mol | Ccb | Swain, Silbert, et al., 1964 | Corresponding ΔfHºsolid = -892.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 452.37 | J/mol*K | N/A | Wirth, Droege, et al., 1956 | DH |
| S°solid,1 bar | 438.65 | J/mol*K | N/A | Ward and Singleton, 1952 | Extrapolation below 90 K, 106.7 J/mol*K.; DH |
| S°solid,1 bar | 475.7 | J/mol*K | N/A | Parks, Kelley, et al., 1929 | Extrapolation below 90 K, 146.4 J/mol*K. Revision of previous data.; DH |
| S°solid,1 bar | 543.5 | J/mol*K | N/A | Parks and Kelley, 1925 | Extrapolation below 90 K, 214.2 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 463.36 | 298.15 | Schaake, van Miltenburg, et al., 1982 | T = 80 to 345 K.; DH |
| 678. | 373. | Pacor, 1967 | DH |
| 460.66 | 298.15 | Wirth, Droege, et al., 1956 | T = 15 to 302 K.; DH |
| 448. | 298. | Ward and Singleton, 1952 | T = 183 to 365 K. Three temperatures, each for solid and liquid and equations. C form.; DH |
| 462.3 | 292.5 | Parks and Kelley, 1925 | T = 88 to 293 K. Value is unsmoothed experimental datum.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
=
By formula: H2 + C16H30O2 = C16H32O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -125.1 ± 1.0 | kJ/mol | Chyd | Rogers, Hoyte, et al., 1978 | liquid phase; solvent: Hexane |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lebedeva, 1964
Lebedeva, N.D.,
Heats of combustion of monocarboxylic acids,
Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Adriaanse, Dekker, et al., 1965
Adriaanse, N.; Dekker, H.; Coops, J.,
Heats of combustion of normal saturated fatty acids and their methyl esters,
Rec. Trav. Chim. Pays/Bas, 1965, 84, 393-407. [all data]
Swain, Silbert, et al., 1964
Swain, H.A., Jr.; Silbert, L.S.; Miller, J.G.,
The heats of combustion of aliphatic long chain peroxyacids, t-butyl peroxyesters, and related acids and esters,
J. Am. Chem. Soc., 1964, 86, 2562-2566. [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]
Ward and Singleton, 1952
Ward, T.L.; Singleton, W.S.,
Physical properties of fatty acids. II. Some dilatometric and thermal properties of palmitic acid,
J. Phys. Chem., 1952, 56, 696-698. [all data]
Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M.,
Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds,
J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]
Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K.,
Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds,
J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]
Schaake, van Miltenburg, et al., 1982
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G.,
Thermodynamic properties of the normal alkanoic acids. II. Molar heat capacities of seven even-numbered normal alkanoic acids,
J. Chem. Thermodynam., 1982, 14, 771-778. [all data]
Pacor, 1967
Pacor, P.,
Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis,
Anal. Chim. Acta, 1967, 37, 200-208. [all data]
Rogers, Hoyte, et al., 1978
Rogers, D.W.; Hoyte, O.P.A.; Ho, R.K.C.,
Heats of hydrogenation of large molecules. Part 2. Six unsaturated and polyunsaturated fatty acids,
J. Chem. Soc. Faraday Trans. 1, 1978, 74, 46-52. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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