Benzoic acid, 2-hydroxy-, ethyl ester
- Formula: C9H10O3
- Molecular weight: 166.1739
- IUPAC Standard InChIKey: GYCKQBWUSACYIF-UHFFFAOYSA-N
- CAS Registry Number: 118-61-6
- 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: Salicylic acid, ethyl ester; Ethyl o-hydroxybenzoate; Ethyl salicylate; Ethyl 2-hydroxybenzoate; Mesotol; Sal ethyl; Salotan; o-(Ethoxycarbonyl)phenol; 2-Hydroxybenzoic acid ethyl ester; Salicylic ether; NSC 8209
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 507.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 506.95 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 495.50 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 506.9 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 504.65 | K | N/A | Kahlbaum, 1884 | Uncertainty assigned by TRC = 1.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.1 | 303. | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 333. K.; AC |
13.2 | 349. | A | Stephenson and Malanowski, 1987 | Based on data from 334. to 505. K.; AC |
12.8 | 431. to 461. | N/A | Wayaku, 1982 | 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, 2010 |
NIST MS number | 374552 |
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 | 120. | 1249. | Tudor and Moldovan, 1999 | |
Capillary | SE-30 | 100. | 1249.1 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 1272. | Nagarajan, Rao, et al., 2001 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min |
Capillary | OV-101 | 1256. | Morales and Duque, 1987 | He, 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 60. C; Tend: 200. C |
Capillary | OV-101 | 1254. | Yamaguchi and Shibamoto, 1979 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1257. | Yamaguchi and Shibamoto, 1979 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1286. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Capillary | HP-5MS | 1267. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | HP-5 | 1269. | Flamini, Luigi Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | DB-1 | 1236.8 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | DB-5 | 1270. | Flamini, Cioni, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | SPB-5 | 1267. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | CP Sil 5 CB | 1241. | Pino, Marbot, et al., 2002, 2 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min |
Packed | SE-30 | 1261. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-Wax | 1798. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min |
Packed | Carbowax 20M | 1828. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1816. | Romeo, Ziino, et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | DB-Wax | 1788. | 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 | 1815. | Whitfield, Shea, et al., 1981 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1270. | Nawrath, Mgode, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
Capillary | RTX-5 | 1279. | 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 | Elite-5MS | 1269. | Tava, Pecetti, et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min |
Capillary | HP-5 | 1272. | Bertrand, Comte, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
Capillary | HP-5MS | 1267. | Tesevic, Nikicevic, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
Capillary | DB-5 | 1265. | Woerdenbag, Windono, et al., 2004 | 30. m/0.249 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C |
Capillary | HP-1 | 1240. | Lopes, Koketsu, et al., 1999 | 25. m/0.32 mm/0.17 μm, H2, 40. C @ 5. min, 3. K/min; Tend: 260. C |
Capillary | DB-1 | 1249. | Werkhoff and Güntert, 1997 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | Ultra-1 | 1238. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | HP-5 | 1257. | Spadone, Takeoka, et al., 1990 | H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C |
Capillary | HP-5 | 1280. | Spadone, Takeoka, et al., 1990 | H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C |
Capillary | DB-1 | 1243. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1267. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1279. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | CP-Sil 5 Cb | 1255. | 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 | DB-5 MS | 1286. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
Capillary | SE-30 | 1257. | Vinogradov, 2004 | Program: not specified |
Capillary | OV-101 | 1257. | Morales and Duque, 1987 | He; Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | OV-101 | 1249. | Zenkevich and Malamakhov, 1987 | He; Column length: 50. m; Column diameter: 0.24 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1261. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1832. | Budryn, Nebesny, et al., 2011 | 30. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min |
Capillary | FFAP | 1832. | Nebesny, Budryn, et al., 2007 | 30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min |
Capillary | DB-Wax Etr | 1837. | 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 | FFAP | 1791. | Ducruet, Fournier, et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 3. K/min; Tend: 240. C |
Capillary | DB-Wax | 1786. | 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 | 1786. | Werkhoff and Güntert, 1997 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | TC-Wax | 1820. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1778. | 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 | HP-Innowax FSC | 1834. | Baser K.H.C. and Demirci B., 2007 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Carbowax 20M | 1780. | Editorial paper, 2005 | Program: not specified |
Capillary | Carbowax 20M | 1787. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-Innowax FSC | 1834. | Erdemoglu, Sener, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Innowax FSC | 1834. | Saglam, Gozler, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | HP-Innowax FSC | 1834. | Kamariah, Lim, et al., 1999 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(20min) |
Capillary | Supelcowax 10 | 1819. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
Capillary | Supelcowax 10 | 1828. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax 10 | 1829. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 1828. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
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Lecat, M.,
Some azeotropes of which one constituant is heterocyclic nitrogen,
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Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
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Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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