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Cholesterol

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-674.8 ± 4.1kJ/molCcbJohnson, 1975 
Quantity Value Units Method Reference Comment
Deltacsolid-16524.0 ± 3.9kJ/molCcbJohnson, 1975Corresponding «DELTA»fsolid = -674.9 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-16590. ± 67.kJ/molCcbPaoli, Garrigues, et al., 1969Corresponding «DELTA»fsolid = -607. 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil633.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus420.2KN/ADavis, Porter, et al., 1970Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltavap153.7 ± 0.8kJ/molCGCNichols, Kweskin, et al., 2006AC
Quantity Value Units Method Reference Comment
Deltasub114.6kJ/molVHickman, Hecker, et al., 1937ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
114.9426.AStephenson and Malanowski, 1987Based on data from 411. - 447. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
142.5 ± 0.9386. - 414.MEOja, Chen, et al., 2009AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
28.5421.7DSCChen, Su, et al., 2009AC
25.1423.2DSCPeng, Jiangjun, et al., 2008Based on data from 300. - 440. K.; AC
21.11423.2DSCKaloustian, Pauli, et al., 2003AC
26.5422.5N/AIWAHASHI, MINAMI, et al., 2001AC
28.4422.3ACMiltenburg, Genderen, et al., 1998AC
27.41420.2N/ADomalski and Hearing, 1996AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.500304.8crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
8.2304.8crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.


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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Mass 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 332884

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Venner, 1956
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 12839
Instrument n.i.g.
Melting point 148.5

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

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30230.3020.Keiser, Retunskii, et al., 1990N2; Column length: 1.2 m
PackedSE-30240.3034.Keiser, Retunskii, et al., 1990N2; Column length: 1.2 m
PackedSE-30250.3051.Keiser, Retunskii, et al., 1990N2; Column length: 1.2 m
PackedE-301220.3043.Keiser, Retunskii, et al., 1990N2; Column length: 1.2 m
PackedE-301230.3023.Keiser, Retunskii, et al., 1990N2; Column length: 1.2 m
PackedE-301230.3053.Keiser, Retunskii, et al., 1990N2; Column length: 1.2 m
PackedE-301240.3044.Keiser, Retunskii, et al., 1990N2; Column length: 1.2 m
CapillaryCP Sil 5 CB270.3068.van Gelder, Jonker, et al., 198850. m/0.22 mm/0.12 «mu»m, H2
CapillaryBP-1275.3093.Japp, Gill, et al., 198725. m/0.22 mm/0.25 «mu»m, N2
PackedSE-30230.3020.Keiser, Yazlovetsky, et al., 1986N2; Column length: 1.2 m
PackedSE-30240.3034.Keiser, Yazlovetsky, et al., 1986N2; Column length: 1.2 m
PackedSE-30250.3051.Keiser, Yazlovetsky, et al., 1986N2; Column length: 1.2 m
PackedOV-1260.3071.Quilliam and Westmore, 1978Gas Chrom Q; Column length: 1. m
PackedSE-30225.3005.Knights, 1966Gas Chrom P AW DMCS; Column length: 1. m

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedSE-303008.Ramsey, Lee, et al., 1980He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified
PackedOV-13090.Berninger, Grunnagel, et al., 1975N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5MS3075.Steiner, Steidle, et al., 200530. m/0.32 mm/0.25 «mu»m, He, 2. K/min; Tstart: 150. C; Tend: 300. C
CapillaryUltra-13004.Tokuda, Saitoh, et al., 198812.5 m/0.20 mm/0.11 «mu»m, He, 5. K/min, 325. C @ 5. min; Tstart: 120. C
CapillaryDB-13081.Perrigo, Peel, et al., 198515. m/0.32 mm/0.25 «mu»m, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillaryDB-13081.Perrigo, Ballantyne, et al., 198415. m/0.25 mm/0.25 «mu»m, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillarySE-303041.Anderson and Stafford, 198315. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 100. C; Tend: 295. C
PackedSE-303080.Perrigo and Peel, 1981N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30230.3100.Baidarovtseva, Rudenko, et al., 1976Column length: 1.3 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-13098.Steiger, Haberer, et al., 201130. m/0.25 mm/0.25 «mu»m, Helium, 10. K/min; Tstart: 50. C; Tend: 250. C
PackedSE-303080.Peel and Perrigo, 1976Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m
PackedSE-303080.Peel and Perrigo, 1975N2, Chromosorb W AW DMS, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
Capillary 3098.Steiger, Peschke, et al., 2007Program: not specified
CapillaryOV-13093.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.3041.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
OtherMethyl Silicone3008.Ardrey and Moffat, 1981Program: not specified
OtherMethyl Silicone3020.Ardrey and Moffat, 1981Program: not specified
OtherMethyl Silicone3086.Ardrey and Moffat, 1981Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Johnson, 1975
Johnson, W.H., The enthalpies of combustion and formation of cholesterol [cholest-5-en-3-ol (3«beta»)], J. Res. Natl. Bur. Stand. Sect. A:, 1975, 79, 493-496. [all data]

Paoli, Garrigues, et al., 1969
Paoli, D.; Garrigues, J.-C.; Patin, H., Combustion microcalorimetry: application to steroids, C. R. Acad. Sci. Paris, 1969, 268, 780-783. [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]

Davis, Porter, et al., 1970
Davis, G.J.; Porter, R.S.; Barrall, E.M., Evaluation of Thermal Transitions in Some Cholesteryl Esters of Saturated Aliphatic Acids, Mol. Cryst. Liq. Cryst., 1970, 10, 1-2, 1, https://doi.org/10.1080/15421407008083482 . [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]

Hickman, Hecker, et al., 1937
Hickman, K.C.D.; Hecker, J.C.; Embree, N.D., Direct determination of low vapor pressures, Ind. Eng. Chem., 1937, 9, 264-267. [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]

Oja, Chen, et al., 2009
Oja, Vahur; Chen, Xu; Hajaligol, Mohammad R.; Chan, W. Geoffrey, Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, «beta»-Sitosterol, and Stigmasterol, J. Chem. Eng. Data, 2009, 54, 3, 730-734, https://doi.org/10.1021/je800395m . [all data]

Chen, Su, et al., 2009
Chen, Wei; Su, Baogen; Xing, Huabin; Yang, Yiwen; Ren, Qilong, Solubilities of cholesterol and desmosterol in binary solvent mixtures of n-hexane+ethanol, Fluid Phase Equilibria, 2009, 287, 1, 1-6, https://doi.org/10.1016/j.fluid.2009.08.016 . [all data]

Peng, Jiangjun, et al., 2008
Peng, L.; Jiangjun, X.; Fangquan, M.; Xi, L.; Chaocan, Z., Study on the thermodynamic properties of cholesterol, J Therm Anal Calorim, 2008, 93, 2, 485-488, https://doi.org/10.1007/s10973-007-8675-6 . [all data]

Kaloustian, Pauli, et al., 2003
Kaloustian, J.; Pauli, A-M; Lechene de la Porte, P.; Lafont, H.; Portugal, H., Journal of Thermal Analysis and Calorimetry, 2003, 71, 2, 341-351, https://doi.org/10.1023/A:1022818902212 . [all data]

IWAHASHI, MINAMI, et al., 2001
IWAHASHI, Makio; MINAMI, Hideyuki; SUZUKI, Takeshi; KOYANAGI, Masaru; YAO, Haruhiko; EMA, Kenji; ASHIZAWA, Kazuhide, Thermodynamic Properties of Steroids: 5-cholesten-3.BETA.-ol, 5.ALPHA.-cholestan-3.BETA.-ol, and 5.BETA.-cholestan-3.ALPHA.-ol., J. Oleo Sci., 2001, 50, 9, 693-699, https://doi.org/10.5650/jos.50.693 . [all data]

Miltenburg, Genderen, et al., 1998
Miltenburg, J.C. van; Genderen, A.C.G. van; den Berg, G.J.K. van, Design improvements in adiabatic calorimetry, Thermochimica Acta, 1998, 319, 1-2, 151-162, https://doi.org/10.1016/S0040-6031(98)00402-X . [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]

Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A., Microcalorimetric investigation of polymorphic transitions in organic crystals, Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]

Venner, 1956
Venner, H., Chem. Ber., 1956, 89, 1634. [all data]

Keiser, Retunskii, et al., 1990
Keiser, L.S.; Retunskii, V.N.; Yazlovetskii, I.G., Gas chromatographic identification of sterols in insects. Estimation of retention data reproducibility, Zh. Anal. Khim., 1990, 45, 1767-1773. [all data]

van Gelder, Jonker, et al., 1988
van Gelder, W.M.J.; Jonker, H.H.; Huizing, H.J.; Scheffer, J.J.C., Capillary gas chromatography of steroidal alkaloids from Solanaceae. Retention indices and simultaneous flame ionization/nitrogen-specific detection, J. Chromatogr., 1988, 442, 133-145, https://doi.org/10.1016/S0021-9673(00)94463-7 . [all data]

Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D., Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns, J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]

Keiser, Yazlovetsky, et al., 1986
Keiser, L.S.; Yazlovetsky, I.G.; Retunsky, V.N., Gas-chromatographic indentification of sterols in insects with the use of two-dimentional three-phase diagrams plotted on the basis of logarithmic retention indices, J. Anal. Chem. USSR (Engl. Transl.), 1986, 41, 9, 1166-1172. [all data]

Quilliam and Westmore, 1978
Quilliam, M.A.; Westmore, J.B., Sterically crowded trialkylsilyl derivatives for chromatography and mass spectrometry of biologically-important compounds, Anal. Chem., 1978, 50, 1, 59-68, https://doi.org/10.1021/ac50023a020 . [all data]

Knights, 1966
Knights, B.A., Application of retention indices to steroid gas chromatography, J. Gas Chromatogr., 1966, 4, 9, 329-331, https://doi.org/10.1093/chromsci/4.9.329 . [all data]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Berninger, Grunnagel, et al., 1975
Berninger, H.; Grunnagel, R.; Mall, S.; Moller, M.R., Gas chromatographic identification of unknown substances from body fluids by menas of retention indices, Beitr. Gerichtl. Med., 1975, 33, 185-191. [all data]

Steiner, Steidle, et al., 2005
Steiner, S.; Steidle, J.L.M.; Ruther, J., Female sex pheromone in immature insect males - a case of pre-emergence chemical mimicry?, Behavioral Ecology and Sociobiology, 2005, 58, 2, 111-120, https://doi.org/10.1007/s00265-005-0930-x . [all data]

Tokuda, Saitoh, et al., 1988
Tokuda, H.; Saitoh, E.; Kimura, Y.; Takano, S., Automated analysis of various compounds with a wide range of boiling points by capillary gas chromatgraphy based on retention indices, J. Chromatogr., 1988, 454, 109-120, https://doi.org/10.1016/S0021-9673(00)88606-9 . [all data]

Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J., Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology., J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6 . [all data]

Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W., Condierations in developing a data base for drugs on a DBI capillary column, J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360 . [all data]

Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T., Applications of capillary gas chromatography in routine toxicological analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

Baidarovtseva, Rudenko, et al., 1976
Baidarovtseva, M.A.; Rudenko, B.A.; Kuleshova, M.I.; Kucherov, V.F., Gas-chromatographic separation of free sterols using steam as the mobile phase, Chem. Nat. Compd. (Engl. Transl.), 1976, 11, 6, 765-767, https://doi.org/10.1007/BF00568465 . [all data]

Steiger, Haberer, et al., 2011
Steiger, S.; Haberer, W.; Muller, J.K., Social environment determines degree of chemical signalling (Supplemented matherials), Biol. Lett., 2011, 7, 6, 822-824, https://doi.org/10.1098/rsbl.2011.0457 . [all data]

Peel and Perrigo, 1976
Peel, H.W.; Perrigo, B., A practical gas chromatographic screening procedure for toxicological analysis, Can. Soc. Forens. Sci. J., 1976, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247 . [all data]

Peel and Perrigo, 1975
Peel, H.W.; Perrigo, B., A practical gas chromatographic screening procedure for toxicological analysis, Can.Soc.Forens.Sci.J., 1975, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247 . [all data]

Steiger, Peschke, et al., 2007
Steiger, S.; Peschke, K.; Francke, W.; Muller, J.K., The smell of parents: breeding status influences cuticular hydrocarbon pattern in the burying beetle Nicrophorus vespilloides, Proc. Roy. Soc. B, 2007, 274, 1622, 2211-2220, https://doi.org/10.1098/rspb.2007.0656 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References