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)
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Phase change data
Go To: Top, 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
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° | 68.1 ± 1.4 | kJ/mol | C | Matos, Miranda, et al., 2000 | AC |
ΔvapH° | 66.9 | kJ/mol | V | Cass, Fletcher, et al., 1958 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
363.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
52.7 | 388. | N/A | Based on data from 373. to 468. K. See also Lee, Su, et al., 2004.; AC |
Mass spectrum (electron ionization)
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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118454 |
Gas Chromatography
Go To: Top, Phase change 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 |
---|---|---|---|---|---|
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, 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.
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,
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Lecat, M.,
New binary azeotropes: 6th list,
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Perkin, W.H.,
LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
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Deffet, L.,
Piezometric Research. Temperatures of Fusion and Transformation,
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Cauwood, J.D.; Turner, W.E.S.,
XXXI. The Dielectric Constants of Some Organic Solvents at their Melting or Boiling Points,
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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,
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Gas-Liquid Chromatographic Analyses. XXIV. Capillary Column Studies of the Chlorinated Veratroles (1,2-Dimethoxybenzenes),
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Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
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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,
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Essential oils from flowers of Centaurea kotschyi var. kotschyi and C. kotschyi var. decumbens from Turkey,
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Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C.,
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Notes
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- Symbols used in this document:
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