Benzene, 1,2-dimethoxy-
- Formula: C8H10O2
- Molecular weight: 138.1638
- IUPAC Standard InChIKey: ABDKAPXRBAPSQN-UHFFFAOYSA-N
- CAS Registry Number: 91-16-7
- 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: Benzene, o-dimethoxy-; o-Dimethoxybenzene; O,O-Dimethyl catechol; Pyrocatechol dimethyl ether; Veratrol; Veratrole; 1,2-Dimethoxybenzene; Dimethylether pyrokatechinu; Orthodimethoxybenzene; 2-Methoxyanisole; Catechol dimethyl ether; NSC 16934; Methylguaiacol; 1,2-Dimethoxybenzene (veratroI); 1,2-Dimethoxybenzene (veratrole); 1,2-Dimethoxybenzene (Veratrol)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- 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.
Phase change data
Go To: Top, Gas phase ion energetics 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 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 479.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 480. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tboil | 299.95 | K | N/A | Lecat, 1943 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 478.7 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 480.25 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 288. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tfus | 295.65 | K | N/A | Deffet, 1940 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 295.65 | K | N/A | Cauwood and Turner, 1915 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 296. | K | N/A | Louguinine and Dupont, 1911 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16.3 ± 0.33 | kcal/mol | C | Matos, Miranda, et al., 2000 | AC |
ΔvapH° | 16.0 | kcal/mol | V | Cass, Fletcher, et al., 1958 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
363.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.6 | 388. | N/A | Based on data from 373. to 468. K. See also Lee, Su, et al., 2004.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.8 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.8 | PE | Domelsmith and Houk, 1978 | LLK |
7.8 ± 0.15 | CTS | Voigt and Reid, 1964 | RDSH |
8.17 | PE | Anderson, Kollman, et al., 1979 | Vertical value; LLK |
7.8 | PE | Domelsmith and Houk, 1978 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H5+ | 12.7 | CH3+CO+H2O | EI | Mori, Ogawa, et al., 1992 | LL |
C6H7O+ | 12.2 | CH3+CO | EI | Mori, Ogawa, et al., 1992 | LL |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, 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 |
---|---|---|---|---|---|
Capillary | SE-30 | 140. | 1131. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.30 mm |
Capillary | SE-30 | 160. | 1114. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.30 mm |
Capillary | SE-30 | 180. | 1121. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.30 mm |
Capillary | SE-30 | 200. | 1128. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.30 mm |
Packed | Apiezon L | 100. | 1114. | Bogoslovsky, Anvaer, et al., 1978 | Chromatone N AW DNCS |
Packed | Apiezon L | 150. | 1127. | Bogoslovsky, Anvaer, et al., 1978 | Chromatone N AW DNCS |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-351 | 140. | 1699. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 160. | 1703. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 180. | 1718. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 200. | 1752. | Korhonen, Knuutinen, et al., 1984 | Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1149. | Flamini, Tebano, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | HP-5 | 1148. | Ertugrul, Dural, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | DB-5 | 1149. | Flamini, Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1148. | Nogueira, Bittrich, et al., 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 1142. | Nogueira, Bittrich, et al., 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-1 | 1111.2 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | SE-30 | 1126. | Korhonen, Knuutinen, et al., 1984 | 6. K/min; Column length: 25. m; Column diameter: 0.30 mm; Tstart: 100. C |
Capillary | OV-1 | 1117. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
Capillary | OV-1 | 1114. | Schreyen, Dirinck, et al., 1976, 2 | N2, 1. K/min; Column length: 183. m; Tstart: 0. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1153.8 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | DB-5MS | 1147. | Varlet, Serot, et al., 2007 | 30. m/0.32 mm/0.5 μm, He; Program: 70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min) |
Capillary | DB-5MS | 1147. | Varlet V., Knockaert C., et al., 2006 | 30. m/0.32 mm/0.5 μm, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Wax | 1753. | Flamini, Tebano, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | OV-351 | 1699. | Korhonen, Knuutinen, et al., 1984 | 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1706. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Capillary | Carbowax 20M | 1741. | Whitfield, Shea, et al., 1981 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apieson L | 140. | 1109. | Hedin, Minyard, et al., 1967 | Nitrogen, Chromosorb W HMDS (60-80 mesh); Column length: 1.8 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1143. | Ferhat, Tigrine-Kordjani, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
Capillary | ZP-5 | 1153. | Füssel, Dötterl, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 260. C @ 1. min |
Capillary | HP-1 | 1110. | Castel, Fernandez, et al., 2006 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 120. min; Tstart: 60. C |
Capillary | HP-5MS | 1146. | Setzer, Noletto, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
Capillary | HP-5 MS | 1143. | Tigrine-Kordiani, Meklati, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
Capillary | ZB-5 | 1153. | Dötterl and Jürgens, 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
Capillary | ZB-5 | 1153. | Dötterl, Wolfe, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 7. min, 6. K/min, 250. C @ 1. min |
Capillary | DB-1 | 1110. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1111. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | ZB-5 | 1155. | Jürgens and Dötterl, 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4.6 min, 6. K/min, 260. C @ 1. min |
Capillary | DB-1 | 1109. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1111. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1111. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1111. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | HP-1 | 1112. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | DB-1 | 1110. | Guy and Vernin, 1996 | He, 70. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Capillary | HP-5 | 1150. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | Ultra-1 | 1111. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1151. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1154. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | VF-5 | 1150. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) |
Capillary | VF-5 | 1150. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | CP-Sil 5 Cb | 1109. | Collin, Nizet, et al., 2008 | 50. m/0.32 mm/1.20 μm, Nitrogen; Program: 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) |
Capillary | CP Sil 8 CB | 1147. | Meekijjaroenroj, Bessière, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C |
Capillary | CP-Sil | 1146. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
Capillary | HP-5 | 1152. | Splivallo, Bossi, et al., 2007 | He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) |
Capillary | HP-5MS | 1151. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | AT-Wax | 1731. | Kiss, Csoka, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | CP-Wax | 1731. | Mo, Fan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 6. K/min, 230. C @ 15. min |
Capillary | Carbowax | 1704. | Ferhat, Tigrine-Kordjani, et al., 2007 | 60. m/0.2 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
Capillary | Carbowax-PEG | 1704. | Tigrine-Kordiani, Meklati, et al., 2006 | 60. m/0.20 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
Capillary | DB-Wax | 1721. | Dregus and Engel, 2003 | 60. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min |
Capillary | TC-Wax | 1727. | Miyazawa, Teranishi, et al., 2003 | He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C |
Capillary | HP-Innowax | 1716. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | TC-Wax | 1732. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Capillary | DB-Wax | 1699. | Hatsuko, Kazuko, et al., 1992 | He, 60. C @ 10. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 240. C |
Capillary | Carbowax 20M | 1720. | Seifert and King, 1982 | He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP Innowax | 1737. | Noorizadeh and Farmany, 2010 | 60. m/0.25 mm/0.33 μm; Program: not specified |
Capillary | DB-Wax | 1701. | 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 | 1717. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) |
Capillary | DB-Wax | 1721. | Lee, Lee, et al., 2005 | 60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min) |
Capillary | DB-Wax | 1740. | Caldentey, Daria Fumi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C |
Capillary | DB-Wax | 1703. | Hatsuko, Kazuko, et al., 1992 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | DB-Wax | 1715. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 1715. | Peng, Yang, et al., 1991 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 200.73 | Williams and Horne, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Lecat, 1943
Lecat, M.,
Azeotropes of Ethyl Urethane and other Azeotropes,
C. R. Hebd. Seances Acad. Sci., 1943, 217, 273. [all data]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 6th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]
Perkin, 1896
Perkin, W.H.,
LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
J. Chem. Soc., 1896, 69, 1025-1257. [all data]
Deffet, 1940
Deffet, L.,
Piezometric Research. Temperatures of Fusion and Transformation,
Bull. Soc. Chim. Belg., 1940, 49, 223. [all data]
Cauwood and Turner, 1915
Cauwood, J.D.; Turner, W.E.S.,
XXXI. The Dielectric Constants of Some Organic Solvents at their Melting or Boiling Points,
J. Chem. Soc., Trans., 1915, 107, 276. [all data]
Louguinine and Dupont, 1911
Louguinine, W.; Dupont, G.,
The heat of fusion of substances which melt at ordinary temperatures.,
Bull. Soc. Chim. Fr., 1911, 9, 219-224. [all data]
Matos, Miranda, et al., 2000
Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.,
Calorimetric and Theoretical Determination of Standard Enthalpies of Formation of Dimethoxy- and Trimethoxybenzene Isomers,
J. Phys. Chem. A, 2000, 104, 40, 9260-9265, https://doi.org/10.1021/jp001928g
. [all data]
Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Quincey, P.G.; Springall, H.D.,
Heats of combustion and molecular structure. Part VI. The structure of some cyclic ethers of o-dihydroxybenzene,
J. Chem. Soc., 1958, 2595-2597. [all data]
Lee, Su, et al., 2004
Lee, Ming-Jer; Su, Chang-Ching; Lin, Ho-mu,
Isothermal Vapor-Liquid Equilibria for Binary Mixtures Composed of the Closely Boiling Compounds 1,2-Dimethoxybenzene and 2-Methoxyphenol with an Adducted Agent: tert -Butanol or Morpholine,
J. Chem. Eng. Data, 2004, 49, 3, 588-593, https://doi.org/10.1021/je0302349
. [all data]
Domelsmith and Houk, 1978
Domelsmith, L.N.; Houk, K.N.,
Photoelectron spectroscopic studies of hallucinogens: The use of ionization potentials in QSAR,
NIDA Res. Monogr., 1978, 22, 423. [all data]
Voigt and Reid, 1964
Voigt, E.M.; Reid, C.,
Ionization potentials of substituted benzenes and their charge-transfer spectra with tetracyanoethylene,
J. Am. Chem. Soc., 1964, 86, 3930. [all data]
Anderson, Kollman, et al., 1979
Anderson, G.M., III; Kollman, P.A.; Domelsmith, L.N.; Houk, K.N.,
Methoxy group nonplanarity in o-dimethoxybenzenes. Simple predictive models for conformations and rotational barriers in alkoxyaromatics,
J. Am. Chem. Soc., 1979, 101, 2344. [all data]
Mori, Ogawa, et al., 1992
Mori, Y.; Ogawa, Y.; Shinoda, H.; Kitagawa, T.,
Two competing fragmentation processes in dimethoxybenzenes depending on their positional isomers: Elimination of CH3 and CHnO (n = 1-3) and formation of methoxycyclopentadienyl and protonated phenol ions,
Org. Mass Spectrom., 1992, 27, 578. [all data]
Korhonen, Knuutinen, et al., 1984
Korhonen, I.O.O.; Knuutinen, J.; Jaaskelainen, R.,
Gas-Liquid Chromatographic Analyses. XXIV. Capillary Column Studies of the Chlorinated Veratroles (1,2-Dimethoxybenzenes),
J. Chromatogr., 1984, 287, 293-303, https://doi.org/10.1016/S0021-9673(01)87704-9
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3
. [all data]
Ertugrul, Dural, et al., 2003
Ertugrul, K.; Dural, H.; Tugay, O.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oils from flowers of Centaurea kotschyi var. kotschyi and C. kotschyi var. decumbens from Turkey,
Flavour Fragr. J., 2003, 18, 2, 95-97, https://doi.org/10.1002/ffj.1168
. [all data]
Flamini, Cioni, et al., 2003
Flamini, G.; Cioni, P.L.; Morelli, I.; Ceccarini, L.; Andolfi, L.; Macchia, M.,
Composition of the essential oil of Medicago marina L. from the coastal dunes of Tuscany, Italy,
Flavour Fragr. J., 2003, 18, 5, 460-462, https://doi.org/10.1002/ffj.1253
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Analysis of leek volatiles by headspace condensation,
J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023
. [all data]
Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Varlet, Serot, et al., 2007
Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C.,
Olfactometric Determination of the Most Potent Odor-Active Compounds in Salmon Muscle (Salmo salar) Smoked by Using Four Smoke Generation Techniques,
J. Agric. Food Chem., 2007, 55, 11, 4518-4525, https://doi.org/10.1021/jf063468f
. [all data]
Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T.,
Comparison of odor-active volatile compounds of fresh and smoked salmon,
J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p
. [all data]
Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C.,
Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect,
Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305
. [all data]
Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J.,
Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands,
Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195
. [all data]
Hedin, Minyard, et al., 1967
Hedin, P.A.; Minyard, J.P.; Thompson, A.C.,
Chromatographic and spectral analysis of phenolic acids and related compounds,
J. Chromatogr., 1967, 30, 43-53, https://doi.org/10.1016/S0021-9673(00)84111-4
. [all data]
Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F.,
Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device,
Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5
. [all data]
Füssel, Dötterl, et al., 2007
Füssel, U.; Dötterl, S.; Jürgens, A.; Aas, G.,
Inter- and intraspecific variation in floral scent in the genus Salix and its implication for pollination,
J. Chem. Ecol., 2007, 33, 4, 749-765, https://doi.org/10.1007/s10886-007-9257-6
. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum,
J. Agric. Food Chem., 2006, 54, 23, 8848-8854, https://doi.org/10.1021/jf061193y
. [all data]
Setzer, Noletto, et al., 2006
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.,
Chemical composition of the floral essential oil of Randia matudae from Monteverde, Costa Rica,
Flavour Fragr. J., 2006, 21, 2, 244-246, https://doi.org/10.1002/ffj.1567
. [all data]
Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F.,
Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008
. [all data]
Dötterl and Jürgens, 2005
Dötterl, S.; Jürgens, A.,
Spatial fragrance patterns in flowers of Silene latifolia: Lilac compounds as olfactory nectar guides?,
Plant Systematics and Evolution, 2005, 255, 1-2, 99-109, https://doi.org/10.1007/s00606-005-0344-2
. [all data]
Dötterl, Wolfe, et al., 2005
Dötterl, S.; Wolfe, L.M.; Jürgens, A.,
Qualitative and quantitative analyses of flower scent in Silene latifolia,
Phytochemistry, 2005, 66, 2, 203-213, https://doi.org/10.1016/j.phytochem.2004.12.002
. [all data]
Lee, Lee, et al., 2005
Lee, K.-G.; Lee, S.-E.; Takeoka, G.R.; Kim, J.-H.; Park, B.-S.,
Antioxidant activity and characterization of volatile constituents of beechwood creosote,
J. Sci. Food Agric., 2005, 85, 9, 1580-1586, https://doi.org/10.1002/jsfa.2156
. [all data]
Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
. [all data]
Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R.,
Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC),
Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345
. [all data]
Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
. [all data]
Guy and Vernin, 1996
Guy, I.; Vernin, G.,
Minor compounds from Cistus ladaniferus L. essential oil from esterel. 2. Acids and phenols,
J. Essent. Oil Res., 1996, 8, 4, 455-462, https://doi.org/10.1080/10412905.1996.9700666
. [all data]
Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2
. [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]
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]
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
Collin, Nizet, et al., 2008
Collin, S.; Nizet, S.; Muls, S.; Iraqi, R.; Bouseta, A.,
Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from Moroccan black olives,
J. Agric. Food Chem., 2008, 56, 9, 3273-3278, https://doi.org/10.1021/jf073488x
. [all data]
Meekijjaroenroj, Bessière, et al., 2007
Meekijjaroenroj, A.; Bessière, J.-M.; Anstett, M.-C.,
Chemistry of floral scents in four Licuala species (Arecaceae),
Flavour Fragr. J., 2007, 22, 4, 300-310, https://doi.org/10.1002/ffj.1797
. [all data]
Proffit, 2007
Proffit, M.,
Mediation chimique et structuration des communautes d'hymenopteres parasites du mutualisme figuier / pollinisateur (These pour obtenir le grade de Docteur de l'Universite Montpellier II) (Dissertation), 2007. [all data]
Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030
. [all data]
Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J.,
Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2
. [all data]
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Mo, Fan, et al., 2009
Mo, X.; Fan, W.; Xu, Y.,
Changes in volatile compounds of Chinese rice wine wheat qu during fermentation and storage,
J. of the Institute of Brewing, 2009, 115, 4, 300-307, https://doi.org/10.1002/j.2050-0416.2009.tb00385.x
. [all data]
Dregus and Engel, 2003
Dregus, M.; Engel, K.-H.,
Volatile constituents of uncooked Rhubarb (Rheum rhabarbarum L.) stalks,
J. Agric. Food Chem., 2003, 51, 22, 6530-6536, https://doi.org/10.1021/jf030399l
. [all data]
Miyazawa, Teranishi, et al., 2003
Miyazawa, M.; Teranishi, A.; Ishikawa, Y.,
Components of the essential oil from Petasites japonicus,
Flavour Fragr. J., 2003, 18, 3, 231-233, https://doi.org/10.1002/ffj.1203
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Hatsuko, Kazuko, et al., 1992
Hatsuko, S.; Kazuko, H.; Masayoshi, K.; Yoshiaki, I.,
Improvement of quality of likorine extract by heat treatment,
J. Food Sci. Technol., 1992, 39, 11, 976-983, https://doi.org/10.3136/nskkk1962.39.976
. [all data]
Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044
. [all data]
Noorizadeh and Farmany, 2010
Noorizadeh, H.; Farmany, A.,
Exploration of linear and nonlinear modeling techniques to predict of retention index of essential oils,
J. Chin. Chem. Soc., 2010, 1268-1277. [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]
Caldentey, Daria Fumi, et al., 1998
Caldentey, P.; Daria Fumi, M.; Mazzoleni, V.; Careri, M.,
Volatile compounds produced by microorganisms isolated from cork,
Flavour Fragr. J., 1998, 13, 3, 185-188, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<185::AID-FFJ723>3.0.CO;2-W
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Williams and Horne, 1995
Williams, P.T.; Horne, P.A.,
Analysis of aromatic hydrocarbons in pyrolytic oil derived from biomass,
J. Anal. Appl. Pyrolysis, 1995, 31, 15-37, https://doi.org/10.1016/0165-2370(94)00814-H
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - 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.