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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Phase change data
Go To: Top, 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:
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 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 316.61 | K | N/A | Mosselman, Mourik, et al., 1974 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 24.74 ± 0.79 | kcal/mol | CGC | Nichols, Kweskin, et al., 2006 | AC |
ΔvapH° | 24.50 | kcal/mol | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 319. to 358. K.; AC |
ΔvapH° | 25.62 | kcal/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 (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.8 | 339. | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 319. to 358. K.; AC |
22.1 | 368. | N/A | N'Guimbi, Kasehgari, et al., 1992 | Based on data from 343. to 393. K.; AC |
17.9 | 453. | A | Stephenson and Malanowski, 1987 | Based on data from 438. to 600. K.; AC |
17.3 | 468. | A | Stephenson and Malanowski, 1987 | Based on data from 453. to 584. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.07 | 316.4 | DSC | Ventol«65533», Calvet, et al., 2004 | AC |
12.82 | 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 |
13.08 | 316.6 | N/A | Mosselman, Mourik, et al., 1974, 2 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
17.88 | 316. | Mosselman and Mouric, 1974 | CAL |
41.315 | 316.6 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.6525 | 316.2 | crystaline, β | crystaline, α | Mosselman, Mourik, et al., 1974, 2 | DH |
13.078 | 316.6 | crystaline, β | liquid | Mosselman, Mourik, et al., 1974, 2 | DH |
7.2538 | 316.9 | crystaline, α | liquid | Mosselman, Mourik, et al., 1974, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
17.9 | 316.2 | crystaline, β | crystaline, α | Mosselman, Mourik, et al., 1974, 2 | DH |
41.30 | 316.6 | crystaline, β | liquid | Mosselman, Mourik, et al., 1974, 2 | DH |
22.9 | 316.9 | crystaline, α | liquid | Mosselman, Mourik, et al., 1974, 2 | DH |
IR Spectrum
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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, Phase change 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, Phase change 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.
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
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, 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. Thermodynam., 1974, 6, 477-487. [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]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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