n-Pentadecanol
- Formula: C15H32O
- Molecular weight: 228.4140
- IUPAC Standard InChIKey: REIUXOLGHVXAEO-UHFFFAOYSA-N
- CAS Registry Number: 629-76-5
- 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: n-1-Pentadecanol; Pentadecanol; Neodol 5; 1-Pentadecanol; Pentadecan-1-ol; Pentadecyl alcohol
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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 | -658.3 ± 0.6 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -9817.7 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | Corresponding ΔfHºsolid = -658.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
567.4 | 323.15 | Khasanshin and Zykova, 1989 | T = 323 to 573 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
537.3 | 358. | Vasil'ev, Petrov, et al., 1982 | T = 358 to 608 K.; DH |
400. | 298.15 | Mosselman, Mourik, et al., 1974 | T = 295 to 308 K.; DH |
535. | 318. | Mosselman, Mourik, et al., 1974 | T = 318 to 346 K.; DH |
Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 317.65 | K | N/A | Gaikwad and Subrahmanyam, 1985 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 311.7 | K | N/A | Belousov, Bubnov, et al., 1977 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 316.92 | K | N/A | Mosselman, Mourik, et al., 1974, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 316.61 | K | N/A | Mosselman, Mourik, et al., 1974, 2 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 103.5 ± 3.3 | kJ/mol | CGC | Nichols, Kweskin, et al., 2006 | AC |
ΔvapH° | 102.5 | kJ/mol | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 319. to 358. K.; AC |
ΔvapH° | 107.2 | kJ/mol | CGC | Koutek, Hoskovec, et al., 1994 | Based on data from 353. to 393. K. See also Ova, Koultek, et al., 2000.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
95.5 | 339. | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 319. to 358. K.; AC |
92.4 | 368. | N/A | N'Guimbi, Kasehgari, et al., 1992 | Based on data from 343. to 393. K.; AC |
75.0 | 453. | A | Stephenson and Malanowski, 1987 | Based on data from 438. to 600. K.; AC |
72.4 | 468. | A | Stephenson and Malanowski, 1987 | Based on data from 453. to 584. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.6 | 316.4 | DSC | Ventol«65533», Calvet, et al., 2004 | AC |
53.62 | 316.9 | N/A | van Miltenburg, van den Berg, et al., 2003 | The value of 53.62 includes both the enthalpy of fusion as well as the enthalpy of solid-to-solid transition that occurs at 315.4 K; AC |
54.73 | 316.6 | N/A | Mosselman, Mourik, et al., 1974 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
74.81 | 316. | Mosselman and Mouric, 1974 | CAL |
172.86 | 316.6 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
23.650 | 316.2 | crystaline, β | crystaline, α | Mosselman, Mourik, et al., 1974 | DH |
54.720 | 316.6 | crystaline, β | liquid | Mosselman, Mourik, et al., 1974 | DH |
30.350 | 316.9 | crystaline, α | liquid | Mosselman, Mourik, et al., 1974 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
74.8 | 316.2 | crystaline, β | crystaline, α | Mosselman, Mourik, et al., 1974 | DH |
172.8 | 316.6 | crystaline, β | liquid | Mosselman, Mourik, et al., 1974 | DH |
95.8 | 316.9 | crystaline, α | liquid | Mosselman, Mourik, et al., 1974 | DH |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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: C15H32O + ClHO3S = C15H32O4S + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56. ± 3. | kJ/mol | Cm | Markitanova, Barsukov, et al., 1981 | liquid phase; solvent: Dichloromethane; Sulfation |
Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
300000. | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. |
IR Spectrum
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
NIST MS number | 351791 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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]
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]
Vasil'ev, Petrov, et al., 1982
Vasil'ev, I.A.; Petrov, V.M.; Treibsho, E.I.,
Study of the specific heat of some liquid higher alcohols,
Zhur. Priklad. Khim., 1982, 55, 2116-2117. [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]
Gaikwad and Subrahmanyam, 1985
Gaikwad, B.R.; Subrahmanyam, V.V.,
Melting behavior of fatty alcohols and their binary blends.,
J. Indian Chem. Soc., 1985, 62, 513. [all data]
Belousov, Bubnov, et al., 1977
Belousov, V.P.; Bubnov, V.I.; Pfestorf, R.; Schumichen, A.,
Calorimetric characteristics of selected nonelectrotype systems. Additional experimental measurement of enthalpy of mixing in systems of n- alkylanine-aromatic & n-alchohol-aromatic,
Z. Chem., 1977, 17, 382. [all data]
Mosselman, Mourik, et al., 1974, 2
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. Thermodyn., 1974, 6, 477-87. [all data]
Nichols, Kweskin, et al., 2006
Nichols, Gary; Kweskin, Sasha; Frericks, Margaret; Reiter, Sarah; Wang, Gin; Orf, Jennifer; Carvallo, Brett; Hillesheim, Dorothea; Chickos, James,
Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T = 298.15 K by Correlation Gas Chromatography,
J. Chem. Eng. Data, 2006, 51, 2, 475-482, https://doi.org/10.1021/je0503857
. [all data]
Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas,
Enthalpies of vaporization of a series of aliphatic alcohols,
Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1
. [all data]
Koutek, Hoskovec, et al., 1994
Koutek, Bohumír; Hoskovec, Michal; Vrkocová, Pavlína; Konecný, Karel; Feltl, Ladislav,
Gas chromatographic determination of vapour pressures of pheromone-like compounds II. Alcohols,
Journal of Chromatography A, 1994, 679, 2, 307-317, https://doi.org/10.1016/0021-9673(94)80573-3
. [all data]
Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M.,
Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [all data]
N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J.,
Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa,
Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Ventol«65533», Calvet, et al., 2004
Ventol«65533», L.; Calvet, T.; Cuevas-Diarte, M.A.; Ram«65533»rez, M.; Oonk, H.A.J.; Mondieig, D.; Negrier, Ph.,
Melting behaviour in the n-alkanol family. Enthalpy?entropy compensation,
Phys. Chem. Chem. Phys., 2004, 6, 8, 1786, https://doi.org/10.1039/b313106h
. [all data]
van Miltenburg, van den Berg, et al., 2003
van Miltenburg, J. Cees; van den Berg, Gerrit.J.K.; Ramirez, Marius,
Heat Capacities and Derived Thermodynamic Functions of 1-Dodecanol and 1-Tridecanol between 10 K and 370 K and Heat Capacities of 1-Pentadecanol and 1-Heptadecanol between 300 K and 380 K and Correlations for the Heat Capacity and the Entropy of Liquid n -Alcohols,
J. Chem. Eng. Data, 2003, 48, 1, 36-43, https://doi.org/10.1021/je025524o
. [all data]
Mosselman and Mouric, 1974
Mosselman, C.; Mouric, J.,
Enthalpies of phase change and heat capacities of some long-chain alcohols. Adiabatic semi-microcalorimeter for studies of polymorphism,
J. Chem. Thermodyn., 1974, 6, 5, 477, https://doi.org/10.1016/0021-9614(74)90009-3
. [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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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