D-Mannitol
- Formula: C6H14O6
- Molecular weight: 182.1718
- IUPAC Standard InChIKey: FBPFZTCFMRRESA-KVTDHHQDSA-N
- CAS Registry Number: 69-65-8
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Mannitol, D-; Cordycepic acid; D-(-)-Mannitol; Diosmol; Isotol; Manicol; Maniton-S; Manna sugar; Mannazucker (German); Mannidex; Mannigen; Mannistol; Mannit; Mannite; Osmitrol; Osmosal; Mannazucker; NCI-C50362; Resectisol; 1,2,3,4,5,6-Hexanehexol; Mannitol; Mannogem 2080; Marine Crystal; Partek M; Pearlitol 25C
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Condensed phase thermochemistry data
Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -319.67 | kcal/mol | Ccb | McClaine, 1947 | ALS |
ΔfH°solid | -319.61 ± 0.19 | kcal/mol | Ccb | Parks, West, et al., 1946 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -729.6 | kcal/mol | Ccb | Baer and Flehmig, 1969 | Corresponding ΔfHºsolid = -312.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -727.95 | kcal/mol | Cm | Parks and Manchester, 1952 | From heat of solution; Corresponding ΔfHºsolid = -314.56 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -722.9 ± 0.4 | kcal/mol | Ccb | McClaine, 1947 | Corresponding ΔfHºsolid = -319.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -722.93 ± 0.43 | kcal/mol | Ccb | Parks, West, et al., 1946 | Corresponding ΔfHºsolid = -319.58 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 57.00 | cal/mol*K | N/A | Parks, Kelley, et al., 1929 | Extrapolation below 90 K, 64.02 J/mol*K. Revision of previous data.; DH |
S°solid,1 bar | 60.49 | cal/mol*K | N/A | Parks and Anderson, 1926 | Extrapolation below 90 K, 78.66 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
57.122 | 298.15 | Lian, Chen, et al., 1982 | DH |
58.51 | 303. | Spaght, Thomas, et al., 1932 | T = 30 to 200°C.; DH |
56.41 | 294.1 | Parks and Anderson, 1926 | T = 88 to 294 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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:
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 | 439.1 | K | N/A | Barone, DellaGatta, et al., 1990 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 439. | K | N/A | Schwarz, Grundstein, et al., 1972 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 439.2 | K | N/A | Spaght, Thomas, et al., 1932, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 439.13 | K | N/A | Burriel, 1931 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 48.3 | kcal/mol | B | Barone, Gatta, et al., 1990 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
568.2 | 0.005 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
32.41 ± 0.26 | 479. | TE | Barone, Gatta, et al., 1990 | Based on data from 458. to 501. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.408 | 439.1 | N/A | Barone and Della Gatta, 1990 | DH |
12.806 | 433.2 | N/A | Spaght, Thomas, et al., 1932 | DH |
13.07 | 437.3 | DSC | Tong, Liu, et al., 2010 | AC |
13.4 | 439.1 | DSC | Domalski and Hearing, 1996 | See also Barone, Gatta, et al., 1990.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
30.54 | 439.1 | Barone and Della Gatta, 1990 | DH |
29.57 | 433.2 | Spaght, Thomas, et al., 1932 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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 | Japan AIST/NIMC Database- Spectrum MS-NW-9246 |
NIST MS number | 229352 |
References
Go To: Top, Condensed phase thermochemistry data, 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.
McClaine, 1947
McClaine, L.A.,
Thermodynamic data for some compounds containing carbon, hydrogen and oxygen, Ph.D. Thesis for Stanford University, 1947, 1-57. [all data]
Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A.,
Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols,
J. Am. Chem. Soc., 1946, 68, 2524-2527. [all data]
Baer and Flehmig, 1969
Baer, E.; Flehmig, H.-H.,
Refutation of alleged differences in the energy contents of optical isomers,
Can. J. Biochem., 1969, 47, 79-83. [all data]
Parks and Manchester, 1952
Parks, G.S.; Manchester, K.E.,
The heats of solution of erythritol, mannitol and dulcitol; combustion values for liquid polyhydroxy alcohols,
J. Am. Chem. Soc., 1952, 74, 3435-34. [all data]
Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M.,
Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds,
J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]
Parks and Anderson, 1926
Parks, G.S.; Anderson, C.T.,
Thermal data on organic compounds. III. The heat capacities, entropies and free energies of tertiary butyl alcohol, mannitol, erythritol and normal butyric acid,
J. Am. Chem. Soc., 1926, 48, 1506-1512. [all data]
Lian, Chen, et al., 1982
Lian, Y.N.; Chen, A.T.; Suurkuusk, J.; Wadsoe, I.,
Polyol-water interactions as reflected by aqueous heat capacity values,
Acta Chem. Scand., 1982, A36(9), 735-739. [all data]
Spaght, Thomas, et al., 1932
Spaght, M.E.; Thomas, S.B.; Parks, G.S.,
Some heat capacity data on organic compounds obtained with a radiation calorimeter,
J. Phys. Chem., 1932, 36, 882-888. [all data]
Barone, DellaGatta, et al., 1990
Barone, G.; DellaGatta, G.; Ferro, D.; Piacente, V.,
Enthalpies and entropies of sublimation, vaporization and fusion of nine polyhydric alcohols,
J. Chem. Soc., Faraday Trans., 1990, 86, 75. [all data]
Schwarz, Grundstein, et al., 1972
Schwarz, E.M.; Grundstein, V.V.; Ievins, A.F.,
Thermal investigation off polyols: 1. hexitols and pentitols.,
J. Therm. Anal., 1972, 4, 331-7. [all data]
Spaght, Thomas, et al., 1932, 2
Spaght, M.E.; Thomas, S.B.; Parks, G.S.,
Some heat capacity data on organic compounds obtained with a radiation calorimeter,
J. Phys. Chem., 1932, 36, 882-8. [all data]
Burriel, 1931
Burriel, F.,
Physico-Chemical Study of Some Solid Organic Compounds at Ordinary Temperatures, and Their COrrelationo with Temperature,
An. R. Soc. Esp. Fis. Quim., 1931, 29, 89. [all data]
Barone, Gatta, et al., 1990
Barone, Guido; Gatta, Giuseppe Della; Ferro, Daniela; Piacente, Vincenzo,
Enthalpies and entropies of sublimation, vaporization and fusion of nine polyhydric alcohols,
Faraday Trans., 1990, 86, 1, 75, https://doi.org/10.1039/ft9908600075
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Barone and Della Gatta, 1990
Barone, G.; Della Gatta, G.,
Ferro D., and Piacente, V., Enthalpies and entropies of sublimation, vaporization and fusion of nine polyhydric alcohols, J. Chem. Soc.,
Faraday Trans., 1990, 86(1), 75-79. [all data]
Tong, Liu, et al., 2010
Tong, Bo; Liu, Rui-Bin; Meng, Chang-Gong; Yu, Feng-Yun; Ji, Shou-Hua; Tan, Zhi-Cheng,
Heat Capacities and Nonisothermal Thermal Decomposition Reaction Kinetics of,
J. Chem. Eng. Data, 2010, 55, 1, 119-124, https://doi.org/10.1021/je900285w
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point 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 ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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