Dicyclohexyl phthalate
- Formula: C20H26O4
- Molecular weight: 330.4180
- IUPAC Standard InChI: InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
- IUPAC Standard InChIKey: VOWAEIGWURALJQ-UHFFFAOYSA-N
- CAS Registry Number: 84-61-7
- 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: 1,2-Benzenedicarboxylic acid, dicyclohexyl ester; Phthalic acid, dicyclohexyl ester; Ergoplast FDC; HF 191; KP 201; Unimoll 66; Ergoplast.fdc; Howflex CP; DCHP; Dicyclohexyl benzene-1,2-dicarboxylate; Morflex 150; Unimoll 66 M; Uniplex 250; 1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester; NSC 6101
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Condensed phase thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -222.6 ± 2.6 | kcal/mol | Ccb | Tavernier and Lamouroux, 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -217.92 kcal/mol; Author's hf298_condensed=-227.798 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2546.5 ± 2.6 | kcal/mol | Ccb | Tavernier and Lamouroux, 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2551.21 kcal/mol; Author's hf298_condensed=-227.798 kcal/mol; Corresponding ΔfHºsolid = -222.62 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, 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 (MINERAL OIL MULL); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% CCl4 FOR 2.7-7.5, 10% CS2 FOR 7.5-26 MICRON) VS SOLVENT $$ SEE SPECTRUM NO. 2832 FOR "NUJOL MULL"; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR 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 |
|---|---|---|---|---|---|
| Capillary | SE-30 | 250. | 2475. | Friocourt, Berthou, et al., 1979 | 50. m/0.3 mm/0.39 μm, He |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2461. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2472. | Messadi and Vergnaud, 1979 | N2, Chromosorb Q, 10. K/min; Tstart: 100. C; Tend: 340. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2523. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
| Packed | SE-30 | 2524. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
| Packed | SE-30 | 2524. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
| Packed | SE-30 | 2526. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
| Packed | SE-30 | 2526. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
| Packed | SE-30 | 2527. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
| Packed | SE-30 | 2533. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Other | Methyl Silicone | 2461. | Ardrey and Moffat, 1981 | Program: not specified |
| Other | Methyl Silicone | 2453. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tavernier and Lamouroux, 1957
Tavernier, P.; Lamouroux, M.,
Determinations calorimetriques relatives a vingt et une substances organiques,
Mem. Poudres, 1957, 39, 335-356. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Friocourt, Berthou, et al., 1979
Friocourt, M.P.; Berthou, F.; Picart, D.; Dreano, Y.; Floch, H.H.,
Glass Capillary Column Gas Chromatography of Phthalate Esters,
J. Chromatogr., 1979, 172, 1, 261-271, https://doi.org/10.1016/S0021-9673(00)90961-0
. [all data]
Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses,
J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1
. [all data]
Messadi and Vergnaud, 1979
Messadi, D.; Vergnaud, J.-M.,
Quick identification and analysis of plasticizers in PVC by programmed-temperature gas chromatography using the best stationary phases,
J. Appl. Polym. Sci., 1979, 24, 5, 1215-1225, https://doi.org/10.1002/app.1979.070240507
. [all data]
Lourici, Souici, et al., 1999
Lourici, L.; Souici, M.-L.; Rebbani, N.; Messadi, D.,
Independent of local properties mathematical models for the calculation of retention indices in programmed temperature gas chromatography,
Analusis, 1999, 27, 3, 249-254, https://doi.org/10.1051/analusis:1999114
. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
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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