Resorcinol
- Formula: C6H6O2
- Molecular weight: 110.1106
- IUPAC Standard InChI: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
- IUPAC Standard InChIKey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
- CAS Registry Number: 108-46-3
- 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: 1,3-Benzenediol; α-Resorcinol; m-Benzenediol; m-Dihydroxybenzene; m-Dioxybenzene; m-Hydroquinone; m-Hydroxyphenol; Benzene, 1,3-dihydroxy-; C.I. Developer 4; C.I. Oxidation Base 31; C.I. 76505; Developer O; Developer R; Developer RS; Durafur Developer G; Fouramine RS; Fourrine EW; Fourrine 79; Nako TGG; Pelagol Grey RS; Pelagol RS; Resorcin; 1,3-Dihydroxybenzene; 3-Hydroxyphenol; Benzene, m-dihydroxy-; Phenol, m-hydroxy-; NCI-C05970; Rcra waste number U201; Resorcine; UN 2876; NSC 1571; Rodol RS; 1,3-Dihydroxybenzene (resorcinol)
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Gas phase thermochemistry data
Go To: Top, IR Spectrum, UV/Visible spectrum, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -68.04 ± 0.29 | kcal/mol | Ccr | Sabbah and Buluku, 1991 | ΔHfusion =15.25±0.52 kJ/mol; ALS |
| ΔfH°gas | -65.7 | kcal/mol | Ccb | Desai, Wilhoit, et al., 1968 | ALS |
| ΔfH°gas | -63.38 | kcal/mol | N/A | Pushin, 1954 | Value computed using ΔfHsolid° value of -351.2 kj/mol from Pushin, 1954 and ΔsubH° value of 86.0 kj/mol from Sabbah and Buluku, 1991.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.291 | 50. | Kudchadker S.A., 1979 | GT |
| 11.34 | 100. | ||
| 15.73 | 150. | ||
| 20.42 | 200. | ||
| 27.304 | 273.15 | ||
| 29.577 | 298.15 | ||
| 29.742 | 300. | ||
| 37.928 | 400. | ||
| 44.422 | 500. | ||
| 49.410 | 600. | ||
| 53.286 | 700. | ||
| 56.381 | 800. | ||
| 58.920 | 900. | ||
| 61.047 | 1000. | ||
| 62.851 | 1100. | ||
| 64.400 | 1200. | ||
| 65.736 | 1300. | ||
| 66.893 | 1400. | ||
| 67.904 | 1500. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1340 AND NUJOL FOR 1340-400 CM -1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | missing citation |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 8977 |
| Instrument | Unicam SP 500 |
| Melting point | 111 |
| Boiling point | 178(16) |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, 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-1 | 180. | 1379. | Radecki and Grzybowski, 1978 | Chromosorb W HMDS (100-120 mesh); Column length: 2.1 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-101 | 1376. | Alley and Dykes, 1972 | 6. K/min; Tstart: 70. C; Tend: 220. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1368. | Grzybowski, Lamparczyk, et al., 1980 | Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1368. | Peterson, 1992 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 213.50 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
| Capillary | DB-5MS | 216.79 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 219.64 | Eckel and Kind, 2003 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah and Buluku, 1991
Sabbah, R.; Buluku, E.N.L.E.,
Thermodynamic study of three isomers of dihydroxybenzene,
Can. J. Chem., 1991, 69, 481-488. [all data]
Desai, Wilhoit, et al., 1968
Desai, P.D.; Wilhoit, R.C.; Zwolinski, B.J.,
Heat of combustion of resorcinol and enthalpies of isomerization of dihydroxybenzenes,
J. Chem. Eng. Data, 1968, 13, 334-335. [all data]
Pushin, 1954
Pushin, N.A.,
Heats of combustion and heats of formation of isomeric organic compounds,
Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]
Kudchadker S.A., 1979
Kudchadker S.A.,
Ideal gas thermodynamic properties of benzene diols: pyrocatechol, resorcinol, and hydroquinone,
Thermochim. Acta, 1979, 30, 319-326. [all data]
Radecki and Grzybowski, 1978
Radecki, A.; Grzybowski, J.,
Linear relationship between retention indices and chemical structure of phenols,
J. Chromatogr., 1978, 152, 1, 211-213, https://doi.org/10.1016/S0021-9673(00)85352-2
. [all data]
Alley and Dykes, 1972
Alley, B.J.; Dykes, H.W.H.,
Gas-Liquid Chromatographic Determination of Nitrate Esters,Stabilizers and Plasticizers in Nitrocellulose-Base Propellants,
J. Chromatogr., 1972, 71, 1, 23-37, https://doi.org/10.1016/S0021-9673(01)85687-9
. [all data]
Grzybowski, Lamparczyk, et al., 1980
Grzybowski, J.; Lamparczyk, H.; Nasal, A.; Radecki, A.,
Relationship between the retention indices of phenols on polar and non-polar stationary phases,
J. Chromatogr., 1980, 196, 2, 217-223, https://doi.org/10.1016/S0021-9673(00)80441-0
. [all data]
Peterson, 1992
Peterson, K.L.,
Counter-Propagation Neural Networks in the Modeling and Prediction of Kovats Indices for Substituted Phenols,
Anal. Chem., 1992, 64, 4, 379-386, https://doi.org/10.1021/ac00028a011
. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Eckel and Kind, 2003
Eckel, W.P.; Kind, T.,
Use of boiling point-Lee retention index correlation for rapid review of gas chromatography-mass spectrometry data,
Anal. Chim. Acta., 2003, 494, 1-2, 235-243, https://doi.org/10.1016/j.aca.2003.08.003
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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