Butanedioic acid, diethyl ester
- Formula: C8H14O4
- Molecular weight: 174.1944
- IUPAC Standard InChIKey: DKMROQRQHGEIOW-UHFFFAOYSA-N
- CAS Registry Number: 123-25-1
- 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: Succinic acid, diethyl ester; Clorius; Diethyl succinate; Ethyl succinate; Diethyl butanedioate; Diethylester kyseliny jantarove; Diethyl ester of butanedioic acid
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference |
---|---|---|
78.99 | 298.15 | Fuchs, 1979 |
80.81 | 292.6 | Kolosovskii and Udovenko, 1934 |
80.81 | 292.6 | de Kolossowsky and Udowenko, 1933 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 490.9 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 489. | K | N/A | Fenton, 1968 | Uncertainty assigned by TRC = 8. K; TRC |
Tboil | 490.9 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 0.6 K; source of data not clear; TRC |
Tboil | 490.40 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 490.30 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.25 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 251.2 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 251.9 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 665. | K | N/A | Steele, Chirico, et al., 1994 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 663. | K | N/A | Radice, 1899 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 22.30 | atm | N/A | Steele, Chirico, et al., 1994 | Uncertainty assigned by TRC = 0.05 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.76 | mol/l | N/A | Steele, Chirico, et al., 1994 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
378.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.5 | 342. | A | Stephenson and Malanowski, 1987 | Based on data from 327. to 490. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
327.8 to 489.7 | 5.55393 | 2629.815 | -16.062 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: H2 + C8H12O4 = C8H14O4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.94 ± 0.05 | kcal/mol | Chyd | Turner, Meador, et al., 1957 | liquid phase; solvent: Acetic acid |
ΔrH° | -29.30 ± 0.15 | kcal/mol | Chyd | Williams, 1942 | liquid phase; solvent: Acetic acid; At 302 K |
By formula: H2 + C8H12O4 = C8H14O4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.52 ± 0.15 | kcal/mol | Chyd | Williams, 1942 | liquid phase; solvent: Acetic acid; At 302 K |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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 | J.VOTH UNIV. OF CALIFORNIA, DAVIS, CALIFORNIA, 95616, USA |
NIST MS number | 26776 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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 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 |
---|---|---|---|---|---|
Packed | SE-30 | 220. | 1149. | Zulaïca and Guiochon, 1963 | Column length: 2. m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1185. | Brander, Kepner, et al., 1980 | Column length: 80. m; Column diameter: 0.29 mm; Program: not specified |
Capillary | SE-30 | 1193. | Brander, Kepner, et al., 1980 | Column length: 80. m; Column diameter: 0.29 mm; Program: not specified |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1694. | Wong and Teng, 1994 | He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1679. | Brander, Kepner, et al., 1980 | Program: not specified |
Capillary | Carbowax 20M | 1680. | Brander, Kepner, et al., 1980 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-5 | 1191. | Setkova, Risticevic, et al., 2007 | 10. m/0.18 mm/0.2 μm, He, 40. C @ 0.5 min, 50. K/min, 275. C @ 0.5 min |
Capillary | DB-5 | 1179. | Su, Ho, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; Tend: 250. C |
Packed | SE-30 | 1139. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1180.9 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Capillary | DB-5MS | 1165. | Boulanger and Crouzet, 2001 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) |
Capillary | SE-52 | 1181. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Packed | SE-30 | 1149. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1687. | Gurbuz O., Rouseff J.M., et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
Capillary | DB-Wax | 1704. | Gurbuz O., Rouseff J.M., et al., 2006 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
Capillary | Innowax | 1690. | Lee, Lee, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 230. C @ 20. min |
Capillary | Innowax | 1658. | Pena, Barciela, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 200. C @ 2. min |
Capillary | ZB-Wax | 1677. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1699. | Claudela, Dirningera, et al., 2002 | 60. m/0.32 mm/0.5 μm, He, 2.7 K/min, 235. C @ 30. min; Tstart: 67. C |
Capillary | DB-Wax | 1681.2 | Pet'ka, Mocák, et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 35. C @ 0.5 min, 4. K/min; Tend: 220. C |
Capillary | DB-FFAP | 1684. | Charles, Martin, et al., 2000 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min; Tend: 240. C |
Capillary | Supelcowax-10 | 1681. | Chung, 2000 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C |
Capillary | DB-Wax | 1705. | Escudero and Etiévant, 1999 | 30. m/0.32 mm/0.5 μm, H2, 5. K/min; Tstart: 67. C; Tend: 240. C |
Capillary | Carbowax 20M | 1661. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
Capillary | DB-Wax | 1675. | Umano, Hagi, et al., 1992 | He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1690. | Selli, Canbas, et al., 2006 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
Capillary | DB-Wax | 1690. | Selli, Canbas, et al., 2006, 2 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min) |
Capillary | Supelcowax-10 | 1677. | Howard, Mike, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 3C/min => 134C => 20C/min => 250C(3.2min) |
Capillary | DB-Wax | 1667. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
Capillary | DB-Wax | 1690. | Selli, Cabaroglu, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
Capillary | Carbowax 20M | 1714. | Boido, Lloret, et al., 2003 | 25. m/0.32 mm/0.25 μm, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 120. | 1148. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 130. | 1149. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 140. | 1147. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 150. | 1145. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 220. | 1149. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-5 | 1191. | Setkova, Risticevic, et al., 2007, 2 | 10. m/0.18 mm/0.2 μm, He, 40. C @ 0.5 min, 50. K/min, 275. C @ 0.5 min |
Capillary | DB-5 | 1176. | 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 | 1188. | 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 | 1191. | El-Sayed, Heppelthwaite, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min; Tend: 240. C |
Capillary | DB-5 | 1176. | 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 | 1182. | 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 | HP-5 | 1181. | Jung, Wichmann, et al., 1999 | 25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; Tend: 180. C |
Capillary | Ultra-1 | 1145. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | DB-5 | 1172. | Georgilopoulos and Gallois, 1988 | 30. m/0.35 mm/1.0 μm, Hydrogen, 2. K/min; Tstart: 45. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Siloxane, 5 % Ph | 1170. | VOC BinBase, 2012 | Program: not specified |
Capillary | Polydimethyl siloxane, 5 % phenyl | 1170. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
Capillary | HP-5 MS | 1191. | Fan, Lu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) |
Capillary | HP-5 | 1183. | 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 | 1182. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | SPB-1 | 1146. | Bosch-Fuste, Riu-Aumatell, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) |
Capillary | SPB-1 | 1153. | Riu-Aumatell, Bosch-Fuste´, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | SE-30 | 1153. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-5 | 1182. | Demyttenaere, Dagher, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 5C/min => 180C => 10C/min => 220C(2min) |
Capillary | HP-5MS | 1182. | Demyttenaere, Dagher, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 5C/min => 220C => 10C/min => 240C(2min) |
Capillary | HP-5 | 1179. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5 | 1166. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5 | 1167. | Jordán, Margaría, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: 40C (6min) => 2.5C/min => 150C => 90C/min => 250C |
Capillary | SF-96 | 1138. | Fagan, Kepner, et al., 1982 | He; Program: not specified |
Capillary | SF-96 | 1146. | Fagan, Kepner, et al., 1982 | He; Program: not specified |
Capillary | SE-54 | 1198. | Fagan, Kepner, et al., 1982 | He; Column length: 35. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | SE-54 | 1198. | Fagan, Kepner, et al., 1982 | He; Column length: 35. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-FFAP | 1697. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | VF-Wax MS | 1672. | Duarte, Dias, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 5. min, 3. K/min, 220. C @ 25. min |
Capillary | DB-Wax | 1672. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min |
Capillary | DB-Wax | 1655. | 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 | 1677. | 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 Etr | 1706. | Perestrelo, Fernandes, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 2. K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1668. | 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 | HP-FFAP | 1697. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | Supelcowax-10 | 1702. | Campeanu, Burcea, et al., 1998 | 60. m/0.32 mm/0.5 μm, H2, 35. C @ 5. min, 5. K/min, 250. C @ 20. min |
Capillary | DB-Wax | 1669. | Parada and Duque, 1998 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 1675. | Parada and Duque, 1998 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 1682. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-Wax | 1688. | Wada and Shibamoto, 1997 | He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C |
Capillary | Carbowax 20M | 1689. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1689. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1689. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1689. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelco CO Wax-10 | 1679. | 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 | DB-Wax | 1686. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1690. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-Innowax | 1687. | Xiao, Dai, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) |
Capillary | Supelko CO Wax | 1683. | Vekiari, Orepoulou, et al., 2010 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) |
Capillary | Supelko CO Wax | 1700. | Vekiari, Orepoulou, et al., 2010 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Stabilwax | 1673. | Chinnici, Guerrero, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) |
Capillary | DB-Wax | 1677. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1701. | Li, Tao, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min) |
Capillary | DB-Wax | 1664. | Tao, Wenlai, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C |
Capillary | DB-Wax | 1701. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
Capillary | Supelcowax-10 | 1678. | Bosch-Fuste, Riu-Aumatell, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) |
Capillary | DB-Wax | 1701. | Li, Tao, et al., 2007 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min) |
Capillary | DB-Wax | 1668. | Selli, 2007 | 30. m/0.32 mm/0.50 μm, Hydrogen; Program: 60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min) |
Capillary | DB-Wax | 1675. | Tian, Zhang, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) |
Capillary | HP-Innowax | 1716. | Weldegergis B.T., Tredoux A.G.J., et al., 2007 | 30. m/0.25 mm/0.5 μm, He; Program: 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min) |
Capillary | Supelcowax-10 | 1662. | Riu-Aumatell, Bosch-Fuste´, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | Innowax | 1674. | Selli, Kürkçüoglu, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 50C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Carbowax 20M | 1668. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 1655. | Selli, Cabaroglu, et al., 2003 | 30. m/0.32 mm/0.5 μm, He; Program: 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) |
Capillary | CP-Wax 52CB | 1683. | Escalona, Birkmyre, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(5min) => 7C/min => 180C => 10C/min => 240C(10min) |
Capillary | Nukol | 1667. | López and Dufour, 2001 | N2; Column length: 25. m; Column diameter: 0.25 mm; Program: 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) |
Capillary | DB-Wax | 1642. | Miranda, Nogueira, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C |
Capillary | Supelcowax-10 | 1668. | Rogerson, Castro, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 40C(20min) => 1.5C/min => 200C(4min) => 10C/min => 250C(120min) |
Capillary | PEG | 1698. | Vas, Gal, et al., 1998 | 40. m/0.182 mm/0.30 μm, Hydrogen; Program: 35 0C (5 min) 5 0C/min -> 100 0C 3 0C/min -> 200 0C (1 min) 20 0C/min -> 240 0C (2 min) |
Capillary | Supelcowax-10 | 1689. | Miranda-Lopez, Libbey, et al., 1992 | 30. m/0.53 mm/0.25 μm; Program: 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min) |
Capillary | Carbowax 20M | 1673. | Fagan, Kepner, et al., 1982 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | Carbowax 20M | 1680. | Fagan, Kepner, et al., 1982 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fuchs, 1979
Fuchs, R.,
Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K,
J. Chem. Thermodyn., 1979, 11, 959-961. [all data]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W.,
Mesure des chaleurs specifique moleculaires de quelques liquides,
Compt. rend., 1933, 197, 519-520. [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]
Fenton, 1968
Fenton, D.M.,
, 1968. [all data]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]
Lecat, 1926
Lecat, M.,
New binary azeotropes: 3rd list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [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]
Radice, 1899
Radice, G.,
, Ph. D. Thesis, Univ. of Geneve, 1899. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Turner, Meador, et al., 1957
Turner, R.B.; Meador, W.R.; Winkler, R.E.,
Heats of hydrogenation. I. Apparatus and the heats of hydrogenation of bicyclo[2,2,1]heptene, bicyclo[2,2,1]heptadiene, bicyclo[2,2,2]octene and bicyclo[2,2,2]octadiene,
J. Am. Chem. Soc., 1957, 79, 4116-4121. [all data]
Williams, 1942
Williams, R.B.,
Heats of catalytic hydrogenation in solution. I. Apparatus, technique, and the heats of hydrogenation of certain pairs of stereoisomers,
J. Am. Chem. Soc., 1942, 64, 1395-1404. [all data]
Zulaïca and Guiochon, 1963
Zulaïca, J.; Guiochon, G.,
Séparation et identification de di-esters aliphatiques et aromatiques et de trimesters phosphoriques par chromatographie en phase gazeuse,
Bull. Soc. Chim. Fr., 1963, 6, 1242-1252. [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]
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction I. Method development and optimization,
J. Chromatogr. A, 2007, 1147, 2, 213-223, https://doi.org/10.1016/j.chroma.2007.02.058
. [all data]
Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T.,
Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts,
Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J.,
Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds,
Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L.,
Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry,
J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p
. [all data]
Lee, Lee, et al., 2006
Lee, S.-J.; Lee, J.-E.; Kim, H.-W.; Kim, S.-S.; Koh, K.-H.,
Development of Korean red wines using Vitis labrusca varieties: instrumental and sensory characterization,
Food Chem., 2006, 94, 3, 385-393, https://doi.org/10.1016/j.foodchem.2004.11.035
. [all data]
Pena, Barciela, et al., 2005
Pena, R.M.; Barciela, J.; Herrero, C.; Garcia-Martin, S.,
Optimization of solid-phase microextraction methods for GC-MS determination of terpenes in wine,
J. Sci. Food Agric., 2005, 85, 7, 1227-1234, https://doi.org/10.1002/jsfa.2121
. [all data]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P.,
Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds,
J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y
. [all data]
Pet'ka, Mocák, et al., 2001
Pet'ka, J.; Mocák, J.; Farkas, P.; Balla, B.; Kovác, M.,
Classification of Slovak varietal white wines by volatile compounds,
J. Sci. Food Agric., 2001, 81, 15, 1533-1539, https://doi.org/10.1002/jsfa.979
. [all data]
Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E.,
Potent aroma compounds of two red wine vinegars,
J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424
. [all data]
Chung, 2000
Chung, H.Y.,
Volatile flavor components in red fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s
. [all data]
Escudero and Etiévant, 1999
Escudero, A.; Etiévant, P.,
Effect of antioxidants on the flavor characteristics and the gas chromatography/olfactometry profiles of champagne extracts,
J. Agric. Food Chem., 1999, 47, 8, 3303-3308, https://doi.org/10.1021/jf9813790
. [all data]
Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.),
J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014
. [all data]
Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z.,
Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment,
Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019
. [all data]
Selli, Canbas, et al., 2006, 2
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Lepoutre, J.-P.; Gunata, Z.,
Effect of skin contact on the free and bound aroma compounds of the white wine of Vitis vinifera L. cv Narince,
Food Control, 2006, 17, 1, 75-82, https://doi.org/10.1016/j.foodcont.2004.09.005
. [all data]
Howard, Mike, et al., 2005
Howard, K.L.; Mike, J.H.; Riesen, R.,
Validation of a Solid-Phase Microextraction Method for Headspace Analysis of Wine Aroma Components,
Am. J. Enol. Vitic, 2005, 56, 1, 37-45. [all data]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [all data]
Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z.,
Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia,
Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008
. [all data]
Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E.,
Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay,
J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i
. [all data]
Lipp, Krasnykh, et al., 2008
Lipp, S.V.; Krasnykh, E.L.; Levanova, S.V.,
Retention indices of symmetrical dicarboxylic acid esters,
Rus. J. Anal. Chem., 2008, 63, 4, 349-352, https://doi.org/10.1134/S1061934808040072
. [all data]
Setkova, Risticevic, et al., 2007, 2
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data,
J. Chromatogr. A, 2007, 1147, 2, 224-240, https://doi.org/10.1016/j.chroma.2007.02.052
. [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]
El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M.,
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species,
J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j
. [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]
Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M.,
VOC emission of polymeric packaging materials,
LaborPraxis, 1999, 23, 9, 20-22. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Georgilopoulos and Gallois, 1988
Georgilopoulos, D.N.; Gallois, A.N.,
Flavour compounds of a commercial concentrated blackberry juice,
Food Chem., 1988, 28, 2, 141-148, https://doi.org/10.1016/0308-8146(88)90143-4
. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Fan, Lu, et al., 2009
Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S.,
effect of fermentation on free and bound volatile compounds of orange juice,
Flavour Fragr. J., 2009, 24, 5, 219-229, https://doi.org/10.1002/ffj.1931
. [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]
Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S.,
Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis,
Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053
. [all data]
Riu-Aumatell, Bosch-Fuste´, et al., 2006
Riu-Aumatell, M.; Bosch-Fuste´, J.; Lopez-Tamames, E.; Buxaderas, S.,
Development of volatile compounds of cava (Spanish sparkling wine) during long ageing time in contact with lees,
Food Chem., 2006, 95, 2, 237-242, https://doi.org/10.1016/j.foodchem.2005.01.029
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demyttenaere, Dagher, et al., 2003
Demyttenaere, J.C.R.; Dagher, C.; Sandra, P.; Kallithraka, S.; Verhé, R.; de Kimpe, N.,
Flavour analysis of Greek white wine by solid-phase microextraction-capillary gas chromatography-mass spectrometry,
J. Chromatogr. A, 2003, 985, 1-2, 233-246, https://doi.org/10.1016/S0021-9673(02)01467-X
. [all data]
Demyttenaere, Dagher, et al., 2002
Demyttenaere, J.C.R.; Dagher, C.; Verhé, R.; Sandra, P.,
Flavour analysis of Greek white wine using solid phase microextraction - capillary GC/MS
in 25th International Symposium on Capillary Chromatography, 2002, 1-16. [all data]
Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E.,
Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O,
J. Agric. Food Chem., 2002, 50, 6, 1523-1528, https://doi.org/10.1021/jf011077p
. [all data]
Jordán, Margaría, et al., 2002
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O,
J. Agric. Food Chem., 2002, 50, 19, 5386-5390, https://doi.org/10.1021/jf020297f
. [all data]
Fagan, Kepner, et al., 1982
Fagan, G.L.; Kepner, R.E.; Webb, A.D.,
Additional volatile components of Palomino film sherry,
Am. J. Enol. Vitic, 1982, 33, 1, 47-50. [all data]
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F.,
Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu,
Food Sci. Technol., 2010, 43, 1564-1572. [all data]
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023
. [all data]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
. [all data]
Campeanu, Burcea, et al., 1998
Campeanu, G.; Burcea, M.; Doneanu, C.; Namolosanu, I.; Visan, L.,
GC/MS characterization of the volatiles isolated from the wines obtained from the indigenous cultivar Feteasca Regala,
Analusis, 1998, 26, 2, 93-97, https://doi.org/10.1051/analusis:1998117
. [all data]
Parada and Duque, 1998
Parada, F.; Duque, C.,
Studies on the aroma of piñuela fruit pulp (Bromelia plumieri): Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors,
J. Hi. Res. Chromatogr., 1998, 21, 10, 577-581, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<577::AID-JHRC577>3.0.CO;2-V
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Wada and Shibamoto, 1997
Wada, K.; Shibamoto, T.,
Isolation and identification of volatile compounds from a wine using solid phase extraction, gas chromatography, and gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1997, 45, 11, 4362-4366, https://doi.org/10.1021/jf970157j
. [all data]
Mihara, Tateba, et al., 1988
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
The volatile components of Chinese quince (Pseudocydonia sinensis Schneid)
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 537-550. [all data]
Mihara, Tateba, et al., 1987
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
Volatile components of Chinese quince (Pseudocydonia sinensis Schneid),
J. Agric. Food Chem., 1987, 35, 4, 532-537, https://doi.org/10.1021/jf00076a023
. [all data]
Prompona, Kandylis, et al., 2012
Prompona, K.-D.; Kandylis, P.; Tsakiris, A.; Kanellaki, M.; Kourkoutas, Y.,
Application of alternative technologies for elimination of artificial colorings in alcoholic beverages produced by Citrus medica and potential impact on human health,
Food Nutrition Sci., 2012, 3, 07, 959-969, https://doi.org/10.4236/fns.2012.37127
. [all data]
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
. [all data]
Xiao, Dai, et al., 2011
Xiao, Z.; Dai, S.; Niu, Y.; Yu, H.; Zhu, J.; Tian, H.; Gu, Y.,
Discrimination of Chinese vinegars based on headspace solid-phase microextraction - gas chromatography mass spectrometry of volatile compounds and multivariate analysis,
J. Food Sci., 2011, 76, 8, c1125-c1135, https://doi.org/10.1111/j.1750-3841.2011.02356.x
. [all data]
Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D.,
Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece,
Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709
. [all data]
Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C.,
Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication,
J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w
. [all data]
Li, Tao, et al., 2008
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli Counti (China),
Eur. Food. Res. Technol., 2008, 227, 1, 287-292, https://doi.org/10.1007/s00217-007-0722-9
. [all data]
Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x
. [all data]
Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z.,
Volatile composition of young Cabernet Savignon red wine from Changli Counti (China),
J. Food Composition and Analysis, 2008, 21, 8, 689-694, https://doi.org/10.1016/j.jfca.2008.05.007
. [all data]
Li, Tao, et al., 2007
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli County (China),
Eur. Food Res. Technol., 2007, https://doi.org/10.1007/s00217-007-0722-9
. [all data]
Selli, 2007
Selli, S.,
Volatile constituents of orange obtained from moro oranges (Citrus Sinensis L. Osbeck),
J. Food Quality, 2007, 30, 3, 330-341, https://doi.org/10.1111/j.1745-4557.2007.00124.x
. [all data]
Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
Weldegergis B.T., Tredoux A.G.J., et al., 2007
Weldegergis B.T.; Tredoux A.G.J.; Crouch A.M.,
Application of a headspace sorptive extraction method for the analysis of volatile components in South African wines,
J. Agric. Food Chem., 2007, 55, 21, 8696-8702, https://doi.org/10.1021/jf071554p
. [all data]
Selli, Kürkçüoglu, et al., 2004
Selli, S.; Kürkçüoglu, M.; Kafkas, E.; Cabaroglu, T.; Demirci, B.; Baser, K.H.C.; Canbas, A.,
Volatile flavour components of mandarin wine obtained from clementines (Citrus reticula Blanco) extracted by solid-phase microextraction,
Flavour Fragr. J., 2004, 19, 5, 413-416, https://doi.org/10.1002/ffj.1323
. [all data]
Selli, Cabaroglu, et al., 2003
Selli, s.; Cabaroglu, T.; Canbas, A.,
Flavour components of orange wine made from a Turkish cv. Kozan,
Int. J. Food Sci. Technol., 2003, 38, 5, 587-593, https://doi.org/10.1046/j.1365-2621.2003.00691.x
. [all data]
Escalona, Birkmyre, et al., 2001
Escalona, H.; Birkmyre, L.; Piggott, J.R.; Paterson, A.,
Relationship between sensory perception volatile and phenolic components in commercial Spanish red wines from different regions,
J. Inst. Brew., 2001, 107, 3, 157-166, https://doi.org/10.1002/j.2050-0416.2001.tb00087.x
. [all data]
López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]
Miranda, Nogueira, et al., 2001
Miranda, E.J.F.; Nogueira, R.I.; Pontes, S.M.; Rezende, C.M.,
Odour-active compounds of banana passa identified by aroma extract dilution analysis,
Flavour Fragr. J., 2001, 16, 4, 281-285, https://doi.org/10.1002/ffj.997
. [all data]
Rogerson, Castro, et al., 2001
Rogerson, F.S.S.; Castro, H.; Fortunato, N.; Azevedo, Z.; Macedo, A.; de Freitas, V.A.P.,
Chemicals with sweet aroma descriptors found in Portuguese wines from the Douro region: 2,6,6-trimethylcyclohex-2-ene-1,4-dione and diacetyl,
J. Agric. Food Chem., 2001, 49, 1, 263-269, https://doi.org/10.1021/jf000948c
. [all data]
Vas, Gal, et al., 1998
Vas, G.; Gal, L.; Harangi, J.; Dobo, A.; Vekey, K.,
Determination of volatile aroma compounds of Blaeufrankisch wines extracted by solid-phase microextraction,
J. Chromatogr. Sci., 1998, 36, 10, 505-510, https://doi.org/10.1093/chromsci/36.10.505
. [all data]
Miranda-Lopez, Libbey, et al., 1992
Miranda-Lopez, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R.,
Odor analysis of Pinot noir wines from grapes of different maturities by a gas chromatography-olfactometry technique (Osme),
J. Food Sci., 1992, 57, 4, 985-993, https://doi.org/10.1111/j.1365-2621.1992.tb14339.x
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.