Benzene, 1,4-dimethoxy-
- Formula: C8H10O2
- Molecular weight: 138.1638
- IUPAC Standard InChIKey: OHBQPCCCRFSCAX-UHFFFAOYSA-N
- CAS Registry Number: 150-78-7
- 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, p-dimethoxy-; p-Dimethoxybenzene; Dimethylhydroquinone ether; DMB; Hydroquinone dimethyl ether; Quinol dimethyl ether; 1,4-Dimethoxybenzene; p-Methoxyanisole; Dimethyl ether hydroquinone; USAF AN-9; Anisole, p-methoxy-; Dimethylether hydrochinonu; Usaf uctl-1791; 4-Methoxyanisole; Methyl p-methoxyphenyl ether; 4-Methoxyphenol, methyl ether; 1,4-Dimethoxybenzol; Methyl 4-methoxyphenyl ether; NSC 7483; Dimethylhydroquinone; Dimethylolbenzimidazolon; 1,3-Bis(hydroxymethyl)-2-benzimidazolinone; 2-Benzimidazolinone, 1,3-bis(hydroxymethyl)-
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 485.8 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 485.8 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 329. | K | N/A | Vowinkel, 1966 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 329.45 | K | N/A | Nagakura and Baba, 1952 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 20.1 ± 0.55 | kcal/mol | C | Matos, Miranda, et al., 2000 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
382.2 | 0.026 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.8 | 313. | A | Stephenson and Malanowski, 1987 | Based on data from 298. to 357. K.; 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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) | 7.56 ± 0.11 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.78 ± 0.03 | PI | Ponomarev, Arapov, et al., 1986 | LBLHLM |
7.53 ± 0.03 | S | Oikawa, Abe, et al., 1985 | LBLHLM |
7.54 | PE | Behan, Johnstone, et al., 1976 | LLK |
7.45 | EI | Cooks, Bertrand, et al., 1973 | LLK |
7.9 ± 0.1 | EI | Brown, 1970 | RDSH |
7.7 ± 0.15 | CTS | Voigt and Reid, 1964 | RDSH |
7.90 | PE | Chmutova, Vtyurina, et al., 1979 | Vertical value; LLK |
7.96 | PE | Anderson, Kollman, et al., 1979 | Vertical value; LLK |
7.90 | PE | Domelsmith and Houk, 1978 | Vertical value; LLK |
7.83 ± 0.015 | PE | Klessinger, Asmus, et al., 1975 | Vertical value; LLK |
7.90 | PE | Bock and Wagner, 1972 | Vertical value; LLK |
7.90 | PE | Baker, May, et al., 1968 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H5+ | 15.8 | CH3+CO+H2O | EI | Mori, Ogawa, et al., 1992 | LL |
C6H7O+ | 12.9 | CH3+CO | EI | Mori, Ogawa, et al., 1992 | LL |
C7H7O2+ | 11.27 ± 0.05 | CH3 | PI | Ponomarev, Arapov, et al., 1986 | LBLHLM |
C7H7O2+ | 11.0 ± 0.1 | CH3 | EI | Brown, 1970 | RDSH |
C7H7O2+ | 10.4 ± 0.1 | CH3 | EI | Tait, Shannon, et al., 1962 | RDSH |
C7H8O+ | 11.00 | HCHO | EI | Cooks, Bertrand, et al., 1973 | LLK |
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 | 100. | 1143.4 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Packed | Apiezon L | 100. | 1143. | Bogoslovsky, Anvaer, et al., 1978 | Chromatone N AW DNCS |
Packed | Apiezon L | 150. | 1159. | Bogoslovsky, Anvaer, et al., 1978 | Chromatone N AW DNCS |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1170. | Zhao J.Y., Liu J.M., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min |
Capillary | HP-5 | 1163. | Fokialakis, Magiatis, et al., 2002 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; Tend: 280. C |
Capillary | SE-54 | 1165.21 | Yin, Xiu, et al., 2001 | 35. C @ 3. min, 4. K/min, 230. C @ 10. min; Column length: 25. m; Column diameter: 0.31 mm |
Capillary | SE-54 | 1167.74 | Yin, Xiu, et al., 2001 | 35. C @ 3. min, 4. K/min, 230. C @ 10. min; Column length: 25. m; Column diameter: 0.31 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1180.1 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | VF-5MS | 1177. | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1727. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 1185. | Souza, Re-Poppi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 6. K/min, 280. C @ 3. min |
Capillary | ZP-5 | 1175. | 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-5MS | 1165. | Bozin, Mimicá-Dukic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | CP Sil 8 CB | 1168. | Li, Lee, et al., 2006 | 30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 250. C @ 20. min |
Capillary | HP-101 | 1158. | Mastelic, Jerkovic, et al., 2006 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
Capillary | DB-1 | 1128. | 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 | 1130. | 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 | 1130. | 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 | 1132. | 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 | CBP-1 | 1122. | Lamarque, Maestri, et al., 1998 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
Capillary | CP Sil 5 CB | 1171. | Bos, Woerdenbag, et al., 1997 | 25. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 290. C |
Capillary | DB-1 | 1122. | 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 | Ultra-1 | 1131. | 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 | VF-5 | 1172. | 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 | 1186. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SE-30 | 1145. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-5MS | 1192. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | Polydimethyl siloxane | 1145. | Spanier, Shahidi, et al., 2001 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | AT-Wax | 1752. | Kiss, Csoka, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | DB-Wax | 1728. | 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 | Supelcowax-10 | 1747. | Lamarque, Maestri, et al., 1998 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
Capillary | PEG-20M | 1759. | Awano, Honda, et al., 1997 | He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 210. C |
Capillary | TC-Wax | 1747. | 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 | 1750. | Andersen J.F., Mikolajczak K.L., et al., 1987 | Helium, 40. C @ 1. min, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1757. | 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 |
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.
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. [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 ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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