1-Hexadecanol
- Formula: C16H34O
- Molecular weight: 242.4406
- IUPAC Standard InChI: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
- IUPAC Standard InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N
- CAS Registry Number: 36653-82-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: n-Cetyl alcohol; n-Hexadecan-1-ol; n-Hexadecanol; n-1-Hexadecanol; Adol 52; Adol 52 NF; Adol 54; Aldol 54; Alfol 16; Atalco C; Cachalot C-51; Cachalot C-52; Cetaffine; Cetal; Cetalol CA; Cetanol; Cetylic alcohol; Cetylol; Crodacol C; Crodacol-CAS; Crodacol-CAT; Elfacos C; Ethal; Ethol; Hexadecanol; Hexadecyl alcohol; Hyfatol 16; Lanol C; Lorol 24; Loxanol K; Loxanol K extra; Loxanwachs SK; Palmityl alcohol; Product 308; Siponol wax-A; Siponol CC; 1-Hexadecyl alcohol; Alcohol c-16; Hexadecan-1-ol; n-Hexadecyl alcohol; 1-Hydroxyhexadecane; Adol 520; Cachalot C-50; CO-1670; CO-1695; Dytol F-11; Cachalot C-50 NF; Cetyl alcohol NF; Crodacol C70; Crodacol C95 NF; Epal 16NF; Fancol CA; Lanette 16; Lipocol C; Lorol C16; LorolL 24; Philcohol 1600; Rita CA; Cetyl alcohol; 1-Hexanedecanol; 1-Cetanol; Epal 16; Hyfatol 16-95; Laurex 16; Alfol 16RD; Kalcol 6098; Palmitic alcohol; 19141-82-3; SSD; SSD RP; 8023-37-8; 124-29-8; 8032-16-4; 8032-89-1; 8032-17-5; SSD (Salt/Mix); SSD RP (Salt/Mix)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -123.5 | kcal/mol | N/A | Mosselman and Dekker, 1975 | Value computed using ΔfHsolid° value of -686.4±0.4 kj/mol from Mosselman and Dekker, 1975 and ΔsubH° value of 169.6 kj/mol from Gundry, Harrop, et al., 1969.; DRB |
| ΔfH°gas | -123.7 ± 0.76 | kcal/mol | Ccb | Gundry, Harrop, et al., 1969 | ALS |
| ΔfH°gas | -122.8 | kcal/mol | N/A | Parks, Mosley, et al., 1950 | Value computed using ΔfHsolid° value of -683.3±3.8 kj/mol from Parks, Mosley, et al., 1950 and ΔsubH° value of 169.6 kj/mol from Gundry, Harrop, et al., 1969.; DRB |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 204. ± 4.1 | cal/mol*K | N/A | Wilhoit R.C., 1973 | Other third-law entropy value at 298.15 K is 803(11) J/mol*K [ Green J.H.S., 1961]. Values calculated by a method of increments [ Green J.H.S., 1961, Thermodynamics Research Center, 1997] are equal to 831 and 832.5 J/mol*K, respectively.; GT |
Condensed phase thermochemistry data
Go To: Top, Gas 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 as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -164.1 ± 0.1 | kcal/mol | Ccb | Mosselman and Dekker, 1975 | ALS |
| ΔfH°solid | -164.21 ± 0.48 | kcal/mol | Ccb | Gundry, Harrop, et al., 1969 | ALS |
| ΔfH°solid | -163.32 ± 0.91 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | Reanalyzed by Cox and Pilcher, 1970, Original value = -163.55 kcal/mol; see Richardson and Parks, 1939; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2512. ± 2. | kcal/mol | Ccb | Freeman and Bagby, 1989 | Corresponding ΔfHºsolid = -154. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -2502.1 ± 0.2 | kcal/mol | Ccb | Mosselman and Dekker, 1975 | Corresponding ΔfHºsolid = -164.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -2506.28 ± 0.41 | kcal/mol | Ccb | Gundry, Harrop, et al., 1969 | Corresponding ΔfHºsolid = -159.90 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -2502.85 ± 0.90 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2502.67 kcal/mol; see Richardson and Parks, 1939; Corresponding ΔfHºsolid = -163.32 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 108.0 | cal/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 115.3 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 147.8 | 333.15 | Khasanshin and Zykova, 1989 | T = 333 to 583 K.; DH |
| 125. | 323. | Mosselman, Mourik, et al., 1974 | T = 323 to 346 K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 101. | 298.15 | Mosselman, Mourik, et al., 1974 | T = 293 to 311 K.; DH |
| 105.46 | 290. | Parks, Kennedy, et al., 1956 | T = 80 to 290 K.; 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
+
= C16H34O4S +
By formula: C16H34O + ClHO3S = C16H34O4S + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14. ± 0.7 | kcal/mol | Cm | Markitanova, Barsukov, et al., 1981 | liquid phase; solvent: Dichloromethane; Sulfation |
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.
Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H.,
Enthalpies of formation of n-alkan-1-ols,
J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]
Gundry, Harrop, et al., 1969
Gundry, H.A.; Harrop, D.; Head, A.J.; Lewis, G.B.,
Thermodynamic properties of organic oxygen compounds. 21. Enthalpies of combustion of benzoic acid, pentan-1-ol, octan-1-ol, and hexadecan-1-ol,
J. Chem. Thermodyn., 1969, 1, 321-332. [all data]
Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr.,
Heats of combustion and formation of some organic compounds containing oxygen,
J. Chem. Phys., 1950, 18, 152. [all data]
Wilhoit R.C., 1973
Wilhoit R.C.,
Physical and thermodynamic properties of aliphatic alcohols,
J. Phys. Chem. Ref. Data, 1973, 2, Suppl. 1, 1-420. [all data]
Green J.H.S., 1961
Green J.H.S.,
Thermodynamic properties of the normal alcohols C1-C12,
J. Appl. Chem., 1961, 11, 397-404. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [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]
Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S.,
Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen,
J. Am. Chem. Soc., 1939, 61, 3543-3546. [all data]
Freeman and Bagby, 1989
Freeman, B.; Bagby, M.O.,
Heats of combustion of fatty esters and triglycerides,
J. Am. Oil Chem. Soc., 1989, 66, 1601-1605. [all data]
Parks, Kennedy, et al., 1956
Parks, G.S.; Kennedy, W.D.; Gates, R.R.; Mosley, J.R.; Moore, G.E.; Renquist, M.L.,
Thermal data on organic compounds. XXVI. Some heat capacity, entropy and free energy data for seven compounds containing oxygen.,
Not In System, 1956, 78, 56-59. [all data]
Khasanshin and Zykova, 1989
Khasanshin, T.S.; Zykova, T.B.,
Specific heat of saturated monatomic alcohols,
Inzh. -Fiz. Zhur., 1989, 56(6), 991-994. [all data]
Mosselman, Mourik, et al., 1974
Mosselman, C.; Mourik, J.; Dekker, H.,
Enthalpies of phase change and heat capacities of some long-chain alcohols. Adiabatic semi-microcalorimeter for studies of polymorphism,
J. Chem. Thermodynam., 1974, 6, 477-487. [all data]
Markitanova, Barsukov, et al., 1981
Markitanova, L.I.; Barsukov, I.I.; Passet, B.V.,
Determination of heat of sulfation by calorimetric titration,
J. Gen. Chem. USSR, 1981, 51, 1286-1289. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°gas Entropy of gas at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.