1,10-Decanediol
- Formula: C10H22O2
- Molecular weight: 174.2805
- IUPAC Standard InChIKey: FOTKYAAJKYLFFN-UHFFFAOYSA-N
- CAS Registry Number: 112-47-0
- 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: Decamethylene glycol; Decamethylenediol; Decane-1,10-diol; 1,10-Decamethylene diol; 1,6-Bis(2-hydroxyethyl)hexane; 1,10-Decamethylene glycol; α,ω-Decanediol; 1,10-Dihydroxydecane; NSC 17165
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Gas 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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -523.1 ± 2.5 | kJ/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
ΔfH°gas | -537.8 | kJ/mol | N/A | Parks and Mosher, 1962 | Value computed using ΔfHsolid° value of -693.6 kj/mol from Parks and Mosher, 1962 and ΔsubH° value of 155.8 kj/mol from Knauth and Sabbah, 1990.; DRB |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -678.9 ± 2.3 | kJ/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989 |
ΔfH°solid | -693.58 | kJ/mol | Ccb | Parks and Mosher, 1962 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -6400.3 ± 2.2 | kJ/mol | Ccb | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; Corresponding ΔfHºsolid = -678.9 kJ/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -6386. ± 3. | kJ/mol | Ccb | Parks and Mosher, 1962 | Corresponding ΔfHºsolid = -693.46 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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:
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 345.7 | K | N/A | Steele, Chirico, et al., 1994 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 345.8 | K | N/A | Marvel and Garrison, 1959 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 344.15 | K | N/A | Anonymous, 1958 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 343.3 | K | N/A | Boelhouwer, Nederbragt, et al., 1950 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 345.4 | K | N/A | Smyth and Walls, 1931 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 345.4 | K | N/A | Knauth and Sabbah, 1990, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 126.6 ± 4.2 | kJ/mol | N/A | Steele, Chirico, et al., 1994, 2 | See also Umnahanant, Kweskin, et al., 2006.; AC |
ΔvapH° | 120.4 ± 4.9 | kJ/mol | N/A | Piacente, Ferro, et al., 1993 | See also Umnahanant, Kweskin, et al., 2006.; AC |
ΔvapH° | 113.7 ± 2.1 | kJ/mol | N/A | Knauth and Sabbah, 1990 | See also Umnahanant, Kweskin, et al., 2006.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 155.8 ± 0.9 | kJ/mol | C | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
ΔsubH° | 155.8 | kJ/mol | N/A | Knauth and Sabbah, 1990 | DRB |
ΔsubH° | 155.8 ± 0.9 | kJ/mol | C | Knauth and Sabbah, 1990 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
443.2 | 0.01 | Aldrich Chemical Company Inc., 1990 | BS |
443. | 0.01 | Farchan Laboratories, 1990 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
112.4 | 364. | Piacente, Ferro, et al., 1993 | See also Umnahanant, Kweskin, et al., 2006.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.7 | 345.5 | Acree, 1991 | AC |
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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | Copyright (C) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CORNING CORP. |
Source reference | COBLENTZ NO. 5576 |
Date | 1967/02/28 |
State | SOLID (KBr DISC) |
Instrument | PERKIN-ELMER 521 (GRATING) SPECTRAL CONTAMINATION DUE TO H2O AROUND 1633 CM-1 |
Instrument parameters | FILTERS AT 3150, 2500, 2000, 1150, 700, 410. GRATING CHANGES: 2000, 630 |
Path length | THE SPLT IN THE SPECTRAL FEATURE AT 619 CM-1 IS AN ARTIFACT CAUSED BY GRATING CHANGE |
Resolution | 2 |
Melting point | 71 C |
Mass spectrum (electron ionization)
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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
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 | Chemical Concepts |
NIST MS number | 186161 |
Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1518. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R.,
Energetics of intra- and intermolecular bonds in ω-alkanediols. III. Thermochemical study of 1,6-hexanediol, 1,8-octanediol, 1,9-nonanediol, and 1,10-decanediol at 298.15K,
Can. J. Chem., 1990, 68, 731-734. [all data]
Knauth and Sabbah, 1989
Knauth, P.; Sabbah, R.,
Combustion calorimetry on milligram samples of hydroscopic solid substances with a CRMT rocking bomb calorimeter thermochemical study of ω-alkanediols at 298.15 K. part II,
J. Chem. Thermodyn., 1989, 21, 779-784. [all data]
Parks and Mosher, 1962
Parks, G.S.; Mosher, H.P.,
Heats of combustion and formation of seven organic compounds containing oxygen,
J. Chem. Phys., 1962, 37, 919-920. [all data]
Steele, Chirico, et al., 1994
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
DIPPR project 871. Determination of ideal-gas enthalpies of formation for key compounds. The 1990 project results,
Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 188-215. [all data]
Marvel and Garrison, 1959
Marvel, C.S.; Garrison, W.E.,
Polymerization of Higher a.pha.-Olefins eith Metal ALkyl Coordination Catalysts,
J. Am. Chem. Soc., 1959, 81, 4737-44. [all data]
Anonymous, 1958
Anonymous, P.,
, 1958. [all data]
Boelhouwer, Nederbragt, et al., 1950
Boelhouwer, J.W.M.; Nederbragt, G.W.; Verberg, G.W.,
Viscosity data of organic liquids,
Appl. Sci. Res., Sect. A, 1950, 2, 249. [all data]
Smyth and Walls, 1931
Smyth, C.P.; Walls, W.S.,
Electric moment and molecular structure: IV the glycols,
J. Am. Chem. Soc., 1931, 53, 2115-22. [all data]
Knauth and Sabbah, 1990, 2
Knauth, P.; Sabbah, R.,
Can. J. Chem., 1990, 68, 731. [all data]
Steele, Chirico, et al., 1994, 2
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
Experimental Results for DIPPR 1990-1991 Projects on Phase Equilibria and Pure Component Properties, J.R. Cunningham and D.K. Jones, ed(s)., AICHE, New York, NY, 1994, 188-215. [all data]
Umnahanant, Kweskin, et al., 2006
Umnahanant, Pataporn; Kweskin, Shasha; Nichols, Gary; Dunn, Matthew J.; Smart-Ebinne, Hareta; Chickos, James S.,
Vaporization Enthalpies of the α,ω-Alkanediols by Correlation Gas Chromatography,
J. Chem. Eng. Data, 2006, 51, 6, 2246-2254, https://doi.org/10.1021/je060333x
. [all data]
Piacente, Ferro, et al., 1993
Piacente, V.; Ferro, D.; Gatta, G.D.,
Vaporization enthalpies of a series of α,φ-alkanediols from vapour pressure measurements,
Thermochim. Acta, 1993, 223, 65-73. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, NIST Subscription Links, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature 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 ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation 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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