Resorcinol
- Formula: C6H6O2
- Molecular weight: 110.1106
- 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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Condensed phase thermochemistry data
Go To: Top, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -88.60 ± 0.26 | kcal/mol | Ccr | Sabbah and Buluku, 1991 | ΔHfusion =15.25±0.52 kJ/mol; ALS |
ΔfH°solid | -87.95 ± 0.12 | kcal/mol | Ccb | Desai, Wilhoit, et al., 1968 | crystal phase; ALS |
ΔfH°solid | -83.94 | kcal/mol | Ccb | Pushin, 1954 | Author's hf298_condensed=-85.6 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -680.66 ± 0.26 | kcal/mol | Ccr | Sabbah and Buluku, 1991 | ΔHfusion =15.25±0.52 kJ/mol; Corresponding ΔfHºsolid = -88.60 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -681.30 ± 0.10 | kcal/mol | Ccb | Desai, Wilhoit, et al., 1968 | crystal phase; Corresponding ΔfHºsolid = -87.95 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -685.3 | kcal/mol | Ccb | Pushin, 1954 | Author's hf298_condensed=-85.6 kcal/mol; Corresponding ΔfHºsolid = -84.0 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -683.9 | kcal/mol | Ccb | Barker, 1925 | Author was aware that data differs from previously reported values; Corresponding ΔfHºsolid = -85.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.392 | 298.15 | Bret-Dibat and Lichanot, 1989 | T = 200 to 500 K. Cp(c) = 126.876 + 0.3316t + 5.6228x10-4t2 + 9.5321x10-6t3 J/mol*K (t/°C). Cp value caluclated from equation.; DH |
33.29 | 298.15 | Ueberreiter and Orthmann, 1950 | T = 293 to 368 K. Equation only.; DH |
36.09 | 323. | Satoh and Sogabe, 1941 | T = 0 to 100°C. Mean value.; DH |
31.31 | 298. | Andrews, Lynn, et al., 1926 | T = 22 to 200°C.; DH |
31.41 | 297.9 | Andrews, 1926 | T = 110 to 344 K. Value is unsmoothed experimental datum.; DH |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
8.2×10+6 | 6300. | X | N/A |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), 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
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Henry's Law data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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- 285 |
NIST MS number | 228485 |
UV/Visible spectrum
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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, Condensed phase thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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, Condensed phase thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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]
Barker, 1925
Barker, M.F.,
Calorific value and constitution,
J. Phys. Chem., 1925, 29, 1345-1363. [all data]
Bret-Dibat and Lichanot, 1989
Bret-Dibat, P.; Lichanot, A.,
Thermodynamic properties of positional isomers of disubstituted benzene in condensed phase,
Thermochim. Acta, 1989, 147(2), 261-271. [all data]
Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J.,
Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme,
Z. Natursforsch. 5a, 1950, 101-108. [all data]
Satoh and Sogabe, 1941
Satoh, S.; Sogabe, T.,
The heat capacities of some organic compounds containing nitrogen and the atomic heat of nitrogen. (3), Sci.,
Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 238-245. [all data]
Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J.,
The heat capacities and heat of crystallization of some isomeric aromatic compounds,
J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]
Andrews, 1926
Andrews, D.H.,
The specific heats of some isomers of the type ortho, meta and para C6H4XY from 110 to 340K,
J. Am. Chem. Soc., 1926, 48, 1287-1298. [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, Condensed phase thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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