n-Tridecan-1-ol
- Formula: C13H28O
- Molecular weight: 200.3608
- IUPAC Standard InChIKey: XFRVVPUIAFSTFO-UHFFFAOYSA-N
- CAS Registry Number: 112-70-9
- 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-Tridecanol; n-Tridecyl alcohol; Tridecanol; 1-Hydroxytridecane; 1-Tridecanol; Tridecan-1-ol; Tridecyl alcohol
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 | -143.3 ± 0.2 | kcal/mol | Ccb | Mosselman and Dekker, 1975 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2035.8 ± 0.2 | kcal/mol | Ccb | Mosselman and Dekker, 1975 | Corresponding ΔfHºsolid = -143.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
116.5 | 313.15 | Khasanshin and Zykova, 1989 | T = 313 to 553 K.; DH |
114. | 305. | Mosselman, Mourik, et al., 1974 | T = 305 to 346 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
90.3 | 298.15 | Mosselman, Mourik, et al., 1974 | β-form, 276 to 299 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 303.05 | K | N/A | Gaikwad and Subrahmanyam, 1985 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 301.7 | K | N/A | Belousov, Bubnov, et al., 1977 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 304.89 | K | N/A | Mosselman, Mourik, et al., 1974, 2 | Crystal phase 3 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 304.63 | K | N/A | Mosselman, Mourik, et al., 1974, 2 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.04 K; TRC |
Tfus | 303.50 | K | N/A | Mosselman, Mourik, et al., 1974, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 22.6 ± 0.1 | kcal/mol | CGC | Nichols, Kweskin, et al., 2006 | AC |
ΔvapH° | 22.9 | kcal/mol | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 307. to 348. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
428.7 | 0.020 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.8 | 327. | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 307. to 348. K.; AC |
20.9 | 343. | N/A | N'Guimbi, Kasehgari, et al., 1992 | Based on data from 313. to 373. K.; AC |
16.5 | 446. | A | Stephenson and Malanowski, 1987 | Based on data from 431. to 568. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.70 | 304.7 | van Miltenburg, van den Berg, et al., 2003 | AC |
4.479 | 306.6 | Mosselman, Mourik, et al., 1974 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.8604 | 301.6 | crystaline, β | crystaline, | Mosselman, Mourik, et al., 1974 | DH |
5.2820 | 305.8 | crystaline, β | crystaline, α | Mosselman, Mourik, et al., 1974 | DH |
10.784 | 304.6 | crystaline, β | liquid | Mosselman, Mourik, et al., 1974 | DH |
5.4971 | 303.5 | crystaline, α | liquid | Mosselman, Mourik, et al., 1974 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.84 | 301.6 | crystaline, β | crystaline, | Mosselman, Mourik, et al., 1974 | DH |
17.3 | 305.8 | crystaline, β | crystaline, α | Mosselman, Mourik, et al., 1974 | DH |
35.40 | 304.6 | crystaline, β | liquid | Mosselman, Mourik, et al., 1974 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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
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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 | 351785 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-101 | 220. | 1563.6 | Didaoui, Touabet, et al., 1997 | N2, Chromosorb G HP; Column length: 2. m |
Capillary | SE-30 | 200. | 1585.5 | Didaoui, Touabet, et al., 1997 | 27. m/0.4 mm/0.1 μm, N2, Chromosorb G HP |
Capillary | CP Sil 5 CB | 240. | 1577. | Hanai and Hong, 1989 | 30. m/0.25 mm/0.25 μm |
Capillary | DB-1 | 240. | 1565. | Hanai and Hong, 1989 | 30. m/0.25 mm/0.25 μm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 1560. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1563. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | CP-Wax | 240. | 2033. | Hanai and Hong, 1989 | 25. m/0.25 mm/0.22 μm |
Capillary | DB-Wax | 240. | 2074. | Hanai and Hong, 1989 | 25. m/0.25 mm/0.22 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1575. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | HP-5 | 1572. | Lazari, Skaltsa, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1585.3 | Zheng and White, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 2076. | Sing, Smadja, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 20C(0.5min) => 60C => 4C/min => 250C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-1 | 1580. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
Capillary | RTX-1 | 1580. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
Capillary | HP-5 MS | 1556. | Sadashava, Sharanappa, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | HP-5 | 1585. | Saidana, Mahjoub, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
Capillary | DB-5 | 1593. | Gogus, Ozel, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium, 35. C @ 7. min, 15. K/min, 240. C @ 10. min |
Capillary | HP-101 | 1547. | Jerkovic, Mastelic, et al., 2007 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min; Tend: 200. C |
Capillary | RSL-200 | 1577. | Jirovetz, Buchbauer, et al., 2002 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Capillary | RSL-200 | 1577. | Jirovetz, Smith, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 40. C @ 2. min, 6. K/min, 280. C @ 10. min |
Capillary | DB-5 | 1569. | Limberger, Simões-Pires, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
Capillary | Ultra-2 | 1577. | King, Matthews, et al., 1995 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-1 | 1586. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
Capillary | RTX-1 | 1586. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
Capillary | BPX-5 | 1585. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) |
Capillary | BPX-5 | 1577. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 1572. | Nivinsliene, Butkiene, et al., 2007 | 50. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
Capillary | HP-5MS | 1580. | Alissandrakis, Kibaris, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
Capillary | BPX-5 | 1577. | Machiels, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | CP Sil 5 CB | 1565. | Weyerstahl, Marschall, et al., 1999 | Column length: 25. m; Column diameter: 0.39 mm; Program: not specified |
Capillary | SE-54 | 1599. | Um, Bailey, et al., 1992 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 35 0C (5 min) 8 0C/min -> 200 0C 2 0C/min -> 250 0C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 2034. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
Capillary | DB-Wax | 2093. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 2041. | Kawakami, Kobayashi, et al., 1993 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Carbowax 20M | 2041. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax FSC | 2077. | Bardakci, Demirci, et al., 2012 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C 1 0C/min -> 240 0C |
Capillary | DB-Wax | 2063. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 2078. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-Innowax FSC | 2077. | Demirci, Baser, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 266.83 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-5MS | 268.36 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 220.2 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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]
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,
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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,
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Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas,
Enthalpies of vaporization of a series of aliphatic alcohols,
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Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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,
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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
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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,
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Comparison of mathematical methods for the calculation of retention indices at high temperature in gas chromatography,
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Structure-retention correlation in CGC,
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Volatile compounds from heated beef fat and beef fat with glycine,
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Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
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Sing, A.S.C.; Smadja, J.; Brevard, H.; Maignial, L.; Chaintreau, A.; Marion, J.-P.,
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Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
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Sadashava, C.T.; Sharanappa, P.; Remashree, A.B.; Raghu, A.V.; Udayan, P.S.; Balachandran, I.,
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Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid Tboil Boiling point Tfus Fusion (melting) point 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 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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