Benzaldehyde, 2-hydroxy-
- Formula: C7H6O2
- Molecular weight: 122.1213
- IUPAC Standard InChIKey: SMQUZDBALVYZAC-UHFFFAOYSA-N
- CAS Registry Number: 90-02-8
- 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. - Isotopologues:
- Other names: Salicylaldehyde; o-Formylphenol; o-Hydroxybenzaldehyde; Salicylal; Salicylic aldehyde; 2-Formylphenol; 2-Hydroxybenzaldehyde; Benzaldehyde, o-hydroxy-; SAH; NSC 49178; Salicylaldehyde (2-hydroxybenzaldehyde); 2-Hydroxy benzaldehyde (salicylaldehyde)
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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 | 470.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 470.15 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 53.3 ± 0.3 | kJ/mol | C | Bernardes and Minas da Piedade, 2008 | AC |
ΔvapH° | 50.4 ± 1.3 | kJ/mol | C | Ribeiro da Silva and Araújo, 2007 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
30.6 | 398. | A | Stephenson and Malanowski, 1987 | Based on data from 383. to 470. K.; AC |
49.6 | 321. | N/A | Stull, 1947 | Based on data from 306. to 470. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
306. to 469.7 | 4.8788 | 2153.821 | -28.196 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.3 | 278.7 | DSC | Bernardes and Minas da Piedade, 2008 | Authors noted in the paper that their melting point temperature differed significantly from published literature values; 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
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 | Japan AIST/NIMC Database- Spectrum MS-NW-1746 |
NIST MS number | 228529 |
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 |
---|---|---|---|---|---|
Packed | OV-101 | 140. | 1041.4 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
Packed | OV-101 | 160. | 1047.6 | Hassani and Meklati, 1992 | N2, Chromosorb G HP; Column length: 5. m |
Capillary | SE-30 | 160. | 1062. | Evans and Haken, 1989 | Column length: 25. m; Column diameter: 0.32 mm |
Capillary | SE-30 | 140. | 1044. | Korhonen, 1984 | Column length: 25. m; Column diameter: 0.3 mm |
Capillary | SE-30 | 160. | 1062. | Korhonen, 1984 | Column length: 25. m; Column diameter: 0.3 mm |
Capillary | SE-30 | 180. | 1074. | Korhonen, 1984 | Column length: 25. m; Column diameter: 0.3 mm |
Packed | SE-30 | 150. | 1045. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1008. | Thangadurai, Anitha, et al., 2002 | 28. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 5.5 K/min; Tend: 270. C |
Capillary | SSP-1 | 1003. | Nagarajan, Rao, et al., 2001 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 2. K/min, 250. C @ 5. min |
Capillary | OV-101 | 1031. | 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 | 1029. | Yamaguchi and Shibamoto, 1979 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-351 | 180. | 1699. | Korhonen, 1984 | Column length: 25. m; Column diameter: 0.32 mm |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1636. | Nagarajan, Rao, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 2. K/min, 220. C @ 5. min |
Capillary | DB-Wax | 1660. | Nagarajan, Rao, et al., 2001, 2 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 2. K/min, 220. C @ 5. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1057. | Methven L., Tsoukka M., et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min |
Capillary | RTX-1 | 1013. | Muselli, Rossi, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
Capillary | DB-5MS | 1049. | Radulovic, Misic, et al., 2007 | 30. m/0.25 mm/0.25 μm, H2, 4.3 K/min; Tstart: 40. C; Tend: 285. C |
Capillary | HP-5MS | 1041. | 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 | PE-5 | 1041. | Isidorov and Vinogorova, 2003 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 280. C |
Capillary | HP-5MS | 1041. | Papandreou, Magiatis, et al., 2002 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; Tend: 280. C |
Capillary | CP Sil 5 CB | 1011. | Pino and Marbot, 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | DB-1 | 1026. | Kaiser and Siegl, 1994 | 60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; Tend: 180. C |
Capillary | SE-30 | 1031. | Korhonen, 1984 | 10. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
Capillary | SE-30 | 1021. | Korhonen, 1984 | 2. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
Capillary | SE-30 | 1025. | Korhonen, 1984 | 6. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-1 | 1024. | Sing, Smadja, et al., 1992 | 50. m/0.32 mm/1.05 μm, He; Program: 20C(0.5min) => 60C => 4C/min => 250C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-Wax | 1633. | Muselli, Rossi, et al., 2007 | 60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
Capillary | OV-351 | 1663. | Bonvehí, 2005 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | HP-Innowax | 1704. | Adamiec, Rossner, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | AT-Wax | 1658. | Pino and Marbot, 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | DB-Wax | 1663. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1674. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | DB-Wax | 1674. | Shiratsuchi, Shimoda, et al., 1994, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | OV-351 | 1652. | Korhonen, 1984 | 10. 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 | HP-Innowax | 1680. | Bisio, Ciarallo, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C |
Capillary | Supelcowax-10 | 1701. | Sing, Smadja, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 20C(0.5min) => 60C => 4C/min => 250C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 1046. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 1049. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | HP-5 MS | 1047. | Lazarevic, Radulovic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min; Tstart: 70. C; Tend: 290. C |
Capillary | HP-5 MS | 1047. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 MS | 1047. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | ZP-5 | 1063. | 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-5 | 1040. | Pavlovic, Petrovic, et al., 2007 | 25. m/0.32 mm/0.52 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 280. C |
Capillary | HP-5 | 1041.3 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | MDN-5 | 1048. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | DB-5 | 1041. | Woerdenbag, Windono, et al., 2004 | 30. m/0.249 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C |
Capillary | DB-5MS | 1049. | Fernando and Grün, 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 250. C |
Capillary | SE-54 | 1011. | Ding, Deng, et al., 1998 | 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
Capillary | Ultra-1 | 1012. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | DB-1 | 1008. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | DB-1 | 1005. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-5 MS | 1033. | Kurashov, Mitrukova, et al., 2014 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1055. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1057. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | HP-5 | 1047. | 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 | 1049. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5 | 1045. | Pavlovic, Petrovic, et al., 2007 | 25. m/0.32 mm/0.52 μm, Helium; Program: not specified |
Capillary | Methyl Silicone | 1062. | Feng, Yue, et al., 2006 | Program: not specified |
Capillary | SE-30 | 1027. | Vinogradov, 2004 | Program: not specified |
Capillary | Methyl phenyl siloxane (not specified) | 1054. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | SE-54 | 1013. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | SE-54 | 1013. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Other | Methyl Silicone | 1072. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-20M | 1628. | Mastelic, Jerkovic, et al., 2006 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min |
Capillary | DB-Wax | 1653. | Parada, Duque, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | PEG-20M | 1669. | Ding, Deng, et al., 1998 | 2. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1670. | 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 | 1675. | Steullet and Guerin, 1994 | H2, 60. C @ 5. min, 8. K/min, 230. C @ 10. min; Column length: 30. m; Phase thickness: 0.25 μm |
Capillary | DB-Wax | 1677. | Steullet and Guerin, 1994 | H2, 60. C @ 5. min, 8. K/min, 230. C @ 10. min; Column length: 30. m; Phase thickness: 0.25 μm |
Capillary | DB-Wax | 1682. | Steullet and Guerin, 1994 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 8. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 1682. | Steullet and Guerin, 1994 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 8. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 1686. | Steullet and Guerin, 1994 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 8. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 1689. | Steullet and Guerin, 1994 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 8. K/min, 230. C @ 10. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1670. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-Innowax FSC | 1703. | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Carbowax 20M | 1705. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-Innowax | 1703. | Gören, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
Capillary | PEG-20M | 1667. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | DB-Wax | 1665. | Peng, Yang, et al., 1991 | 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.
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]
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Perkin, W.H.,
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Notes
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- Symbols used in this document:
Tboil Boiling point ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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