Ethane, 1,1-diethoxy-

Formula: C₆H₁₄O₂
Molecular weight: 118.1742
IUPAC Standard InChI: InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
IUPAC Standard InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N
CAS Registry Number: 105-57-7
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: Acetaldehyde, diethyl acetal; Acetal; Diethyl acetal; Ethylidene diethyl ether; 1,1-Diethoxyethane; CH3CH(OC2H5)2; Acetal diethylique; Diaethylacetal; 1,1-Diaethoxy-aethan; 1,1-Diethoxy-ethaan; 1,1-Dietossietano; Acetale; Acetol; UN 1088; USAF DO-45; Capsicum annuum l; Ethylidine diethyl ether; Diethoxy-1,1-ethane; NSC 7624; Ethanal diethyl acetal; acetal (acetaldehyde diethyl acetal)
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Condensed phase thermochemistry data

Go To: Top, Henry's Law data, IR Spectrum, Gas Chromatography, References, Notes

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
Δ_cH°_liquid	-925.07 ± 0.54	kcal/mol	Ccb	Pihlaja and Heikkil, 1968	Corresponding Δ_fHº_liquid = -117.44 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
56.81	298.	von Reis, 1881	T = 289 to 382 K.; DH

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference
10.		V	N/A

IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Henry's Law data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

SOLUTION (10% IN CCl4 FOR 4000-1350 CM^-1, 10% IN CS2 FOR 1350-600 CM^-1); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Chromatography

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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
Packed	SE-30	150.	710.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Packed	SE-30	100.	717.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Packed	Silicon High Vacuum Grease (obsolete)	90.	720.	Jonas, Janák, et al., 1966	H2

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	75.	910.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m

Kovats' RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	866.	Toda, Yamaguchi, et al., 1982	2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	867.	Toda, Yamaguchi, et al., 1982	2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	886.	Brander, Kepner, et al., 1980	Program: not specified
Capillary	Carbowax 20M	889.	Brander, Kepner, et al., 1980	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
Capillary	DB-1	717.3	Sun and Stremple, 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 40. C; T_end: 325. C
Capillary	HP-5	725.	David, Scanlan, et al., 2000	50. m/0.32 mm/1.05 μm, He, 2. K/min; T_start: 50. C; T_end: 290. C
Capillary	DB-5	730.	Moio L., Rillo L., et al., 1996	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	OV-101	715.	Misharina, Aerove, et al., 1991	50. m/0.32 mm/0.50 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	SE-54	729.	Fritsch and Schieberle, 2005	30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)
Capillary	SE-54	736.	Fritsch and Schieberle, 2005	30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min)

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	FFAP	900.	Fritsch and Schieberle, 2005	30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	725.	Forero, Quijano, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min
Capillary	DB-1	714.	Kumazawa, Itobe, et al., 2008	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 30. C; T_end: 210. C
Capillary	DB-5	726.	Xu, Fan, et al., 2007	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 5. min
Capillary	DB-1	719.	Chen, Sheu, et al., 2006	Nitrogen, 40. C @ 1. min, 2. K/min, 200. C @ 9. min; Column length: 60. m; Column diameter: 0.25 mm
Capillary	DB-5	726.	Fan and Qian, 2006	30. m/0.32 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 15. min
Capillary	DB-5	719.	Fan and Qian, 2006, 2	30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min
Capillary	DB-5	730.	de Souza, Vásquez, et al., 2006	He, 35. C @ 3. min, 6. K/min; Column length: 13.5 m; Column diameter: 0.32 mm; T_end: 225. C
Capillary	DB-5	726.	Fan and Qian, 2005	30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 250. C @ 5. min
Capillary	SPB-5	726.	Ledauphin, Guichard, et al., 2003	30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 220. C @ 20. min
Capillary	AT-1	727.	Kelling, 2001	He, 50. C @ 2. min, 10. K/min; T_end: 300. C
Capillary	Methyl Silicone	722.16	Baraldi, Rapparini, et al., 1999	60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; T_end: 220. C
Capillary	DB-1	725.	Yu, Wu, et al., 1994	60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
Capillary	DB-5	730.	Moio, Dekimpe, et al., 1993	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	OV-101	718.	Misharina, Golovnya, et al., 1991	50. m/0.32 mm/0.5 μm, He, 4. K/min; T_start: 50. C; T_end: 250. C
Capillary	SF96+Igepal	715.	Lorenz, Stern, et al., 1983	45. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; T_end: 200. C
Capillary	SE-30	727.	Alves and Jennings, 1979	Helium, 2. K/min; T_start: 70. C; T_end: 170. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane with 5 % Ph groups	726.	Robinson, Adams, et al., 2012	Program: not specified
Capillary	Polydimethyl siloxane with 5 % Ph groups	743.	Robinson, Adams, et al., 2012	Program: not specified
Capillary	HP-5	727.	Zhao, Li, et al., 2008	30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
Capillary	HP-5	726.	Zhao, Li, et al., 2008	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	SE-30	710.	Vinogradov, 2004	Program: not specified
Capillary	HP-5	734.	Jordán, Margaría, et al., 2003	30. m/0.25 mm/0.25 μm; Program: 40C(6min) => 2.5C/min => 150C => 90C/min => 250C
Capillary	HP-5	725.1	David, Scanlan, et al., 2002	50. m/0.32 mm/1.05 μm, He; Program: not specified
Capillary	HP-5	719.	Jordán, Goodner, et al., 2002	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	BPX-5	724.	Madruga, Arruda, et al., 2000	50. m/0.32 mm/0.50 μm, Helium; Program: 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)
Capillary	DB-5	730.	Guth, 1997	30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)
Capillary	SE-54	730.	Guth, 1997	30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	717.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 57 CB	928.	Callejon, Morales, et al., 2008	50. m/0.25 mm/0.20 μm, Hydrogen, 35. C @ 5. min, 4. K/min, 150. C @ 17.5 min
Capillary	DB-Wax	894.	Kumazawa, Itobe, et al., 2008	30. m/0.25 mm/0.25 μm, He, 5. K/min; T_start: 30. C; T_end: 210. C
Capillary	DB-Wax	889.	Xu, Fan, et al., 2007	30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 5. min
Capillary	DB-Wax	892.	Fan and Qian, 2006	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
Capillary	DB-Wax	891.	Fan and Qian, 2006, 2	30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 6. K/min, 230. C @ 15. min
Capillary	DB-Wax	889.	Fan and Qian, 2005	30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 5. min
Capillary	DB-Wax	900.	Lee and Noble, 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 185. C @ 20. min
Capillary	DB-Wax	898.	Umano, Hagi, et al., 1995	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	Carbowax 20M	890.	Mihara, Tateba, et al., 1988	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	890.	Mihara, Tateba, et al., 1988	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	890.	Mihara, Tateba, et al., 1987	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	890.	Mihara, Tateba, et al., 1987	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	BP-20	880.	MacLeod and Snyder, 1985	70. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_end: 180. C

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Supelco CO Wax-10	925.	Prompona, Kandylis, et al., 2012	60. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min)
Capillary	Supelco CO Wax-10	930.	Prompona, Kandylis, et al., 2012	60. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	Carbowax 20M	880.	Vinogradov, 2004	Program: not specified
Capillary	DB-FFAP	900.	Guth, 1997	30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)
Capillary	DB-FFAP	900.	Guth, 1997	30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min)

References

Go To: Top, Condensed phase thermochemistry data, Henry's Law data, IR Spectrum, Gas Chromatography, Notes

Pihlaja and Heikkil, 1968
Pihlaja, K.; Heikkil, J., Heats of combustion. Diethyl ether and 1,1-diethoxyethane, Acta Chem. Scand., 1968, 22, 2731-2732. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Jonas, Janák, et al., 1966
Jonas, J.; Janák, J.; Kratochvíl, M., Structural investigations with the aid of Kovats retention index system on one (nonpolar) stationary phase, J. Gas Chromatogr., 1966, 4, 9, 332-335, https://doi.org/10.1093/chromsci/4.9.332 . [all data]

Goebel, 1982
Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5 . [all data]

Toda, Yamaguchi, et al., 1982
Toda, H.; Yamaguchi, K.; Shibamoto, T., Isolation and identification of banana-like aroma from banana shrub (Michellia figo Spreng), J. Agric. Food Chem., 1982, 30, 1, 81-84, https://doi.org/10.1021/jf00109a017 . [all data]

Brander, Kepner, et al., 1980
Brander, C.F.; Kepner, R.E.; Webb, A.D., Identification of Some Volatile Compounds of Wine of Vitis Vinifera Cultivar Pinot Noir, Am. J. Enol. Vitic, 1980, 31, 1, 69-75. [all data]

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]

David, Scanlan, et al., 2000
David, F.; Scanlan, F.; Sandra, P., Retention time locking in flavor analysis, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]

Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F., Odorous constituents of ovine milk in relationship to diet, J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3 . [all data]

Misharina, Aerove, et al., 1991
Misharina, T.A.; Aerove, A.F.; Golovnya, R.E.; Kalugina, V.I.; Rogovskaya, L.V.; Vysotskaya, L.E.; Shevtsov, V.K., Identification of volatile components of an aromatizer with a chicken odor by chromatography-mass spectrometry and chromatography-fourier transform infrared spectroscopy, J. Anal. Chem. USSR (Engl. Transl.), 1991, 8, 1187-1193. [all data]

Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P., Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer, J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k . [all data]

Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A., Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages, Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913 . [all data]

Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T., A new approach to estimate the in-mouth release characteristics of odorants in chewing gum, Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269 . [all data]

Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C., Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction, J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732 . [all data]

Chen, Sheu, et al., 2006
Chen, H.-C.; Sheu, M.-J.; Wu, C.-M., Characterization of Volatiles in Guava (Psidium guajava L. cv. Chung-Shan-Yueh-Pa) Fruit from Taiwan, J. Food Drug. Anal., 2006, 14, 4, 398-402. [all data]

Fan and Qian, 2006
Fan, W.; Qian, M.C., Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis, J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t . [all data]

Fan and Qian, 2006, 2
Fan, W.; Qian, M.C., Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry, Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621 . [all data]

de Souza, Vásquez, et al., 2006
de Souza, M.D.C.A.; Vásquez, P.; del Mastro, N.L.; Acree, T.E.; Lavin, E.H., Characterization and cachaca and rum aroma, J. Agric. Food Chem., 2006, 54, 2, 485-488, https://doi.org/10.1021/jf0511190 . [all data]

Fan and Qian, 2005
Fan, W.; Qian, M.C., Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors, J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k . [all data]

Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D., Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants, J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e . [all data]

Kelling, 2001
Kelling, F.J., Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [all data]

Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P., Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees, Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8 . [all data]

Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Rosen, R.T.; Hartman, T.G.; Ho, C.-T., Volatile compounds in generated from thermal degradation of alliin and deoxyalliin in an aqueous solution, J. Agric. Food Chem., 1994, 42, 1, 146-153, https://doi.org/10.1021/jf00037a026 . [all data]

Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F., Neutral volatile compounds in the raw milks from different species, J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]

Lorenz, Stern, et al., 1983
Lorenz, G.; Stern, D.J.; Flath, R.A.; Haddon, W.F.; Tillin, S.J.; Teranishi, R., Identification of sheep liver volatiles, J. Agric. Food Chem., 1983, 31, 5, 1052-1057, https://doi.org/10.1021/jf00119a033 . [all data]

Alves and Jennings, 1979
Alves, S.; Jennings, W.G., Volatile composition of certain Amazonian fruits, Food Chem., 1979, 4, 2, 149-159, https://doi.org/10.1016/0308-8146(79)90039-6 . [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L., Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O, J. Agric. Food Chem., 2003, 51, 5, 1421-1426, https://doi.org/10.1021/jf020765l . [all data]

David, Scanlan, et al., 2002
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Notes

Go To: Top, Condensed phase thermochemistry data, Henry's Law data, IR Spectrum, Gas Chromatography, References

Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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