Myo-Inositol
- Formula: C6H12O6
- Molecular weight: 180.1559
- IUPAC Standard InChIKey: CDAISMWEOUEBRE-GPIVLXJGSA-N
- CAS Registry Number: 87-89-8
- 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. - Stereoisomers:
- Other names: Inositol, myo-; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; i-Inositol; meso-Inositol; Dambose; Inosital; Inositene; Inositina; iso-Inositol; Meat sugar; Mesoinosit; Mesoinosite; Mesol; Mesovit; Myoinosite; MI; Nucite; Phaseomannite; Phaseomannitol; Scyllite; Inositol, meso-; Bios I; Cyclohexanehexol; Cyclohexitol; Inosite; Mouse antialopecia factor; Muscle sugar; Rat antispectacled eye factor; Hexahydroxycyclohexane
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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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference |
---|---|---|
218.31 | 298.15 | Lian, Chen, et al., 1982 |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 496.9 | K | N/A | Barone, DellaGatta, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 161. | kJ/mol | N/A | Barone, Gatta, et al., 1990 | AC |
ΔsubH° | 178. | kJ/mol | B | Barone, Gatta, et al., 1990 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
119.0 ± 1.4 | 519. | TE | Barone, Gatta, et al., 1990 | Based on data from 497. to 524. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
174.0 ± 2.6 | 448. | N/A | Chen, Oja, et al., 2006 | Based on data from 438. to 458. K.; AC |
154.7 ± 1.4 | 477. | TE | Barone, Gatta, et al., 1990 | AC |
168. | 454. to 472. | N/A | de Wit, 1983 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
47.900 | 496.9 | Barone and Della Gatta, 1990 | DH |
47.9 | 496.9 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
96.4 | 496.9 | Barone and Della Gatta, 1990 | DH |
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. |
---|---|
NIST MS number | 7496 |
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SPB-1 | 200. | 2152. | Sanz, Sanz, et al., 2004 | 25. m/0.25 mm/0.25 μm |
Capillary | SPB-1 | 200. | 2152. | Sanz, Villamiel, et al., 2004 | 25. m/0.25 mm/0.25 μm, N2 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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.
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]
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]
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]
Chen, Oja, et al., 2006
Chen, Xu; Oja, Vahur; Chan, W. Geoffrey; Hajaligol, Mohammad R.,
Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method,
J. Chem. Eng. Data, 2006, 51, 2, 386-391, https://doi.org/10.1021/je050293h
. [all data]
de Wit, 1983
de Wit, H.G.M.,
Vapor pressures and lattice energies of oxalic acid, mesotartaric acid, phloroglucinol, myoinositol, and their hydrates,
J. Chem. Phys., 1983, 78, 3, 1470, https://doi.org/10.1063/1.444836
. [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]
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]
Sanz, Sanz, et al., 2004
Sanz, M.L.; Sanz, J.; Martínez-Castro, I.,
Presence of some cyclitols in honey,
Food Chem., 2004, 84, 1, 133-135, https://doi.org/10.1016/S0308-8146(03)00200-0
. [all data]
Sanz, Villamiel, et al., 2004
Sanz, M.L.; Villamiel, M.; Martinez-Castro, I.,
Inositols and carbohydrates in different fresh fruit juces,
Food Chem., 2004, 87, 3, 325-328, https://doi.org/10.1016/j.foodchem.2003.12.001
. [all data]
Notes
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- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation 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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