Diallyl phthalate
- Formula: C14H14O4
- Molecular weight: 246.2586
- IUPAC Standard InChIKey: QUDWYFHPNIMBFC-UHFFFAOYSA-N
- CAS Registry Number: 131-17-9
- 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, di-2-propenyl ester; Phthalic acid, diallyl ester; Allyl phthalate; Dapon R; o-Phthalic acid, diallyl ester; Dapon 35; NCI-C50657; Diallylester kyseliny ftalove; Diallyl ester of phthalic acid; DAP monomer; Diallyl ester o-phthalic acid; Diallylester phthalic acid; 1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester; NSC 7667
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -131.4 | kcal/mol | Ccb | Medard and Thomas, 1955 | |
ΔfH°liquid | -132.0 ± 1.7 | kcal/mol | Ccb | Tavernier and Lamouroux, 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = -128.66 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1663.5 | kcal/mol | Ccb | Medard and Thomas, 1955 | Corresponding ΔfHºliquid = -131.4 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -1662.9 ± 1.7 | kcal/mol | Ccb | Tavernier and Lamouroux, 1955 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1666.27 kcal/mol; Corresponding ΔfHºliquid = -132.02 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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)
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed 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: 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- 275 |
NIST MS number | 228069 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1698. | 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 | 1708. | Helaimia and Messadi, 1989 | Chromosorb Q, 10. K/min; Column length: 2. m; Tstart: 100. C |
Packed | SE-30 | 1718. | Helaimia and Messadi, 1989 | Chromosorb Q, 10. K/min; Column length: 2. m; Tstart: 100. C |
Packed | SE-30 | 1708. | 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 | 1711. | 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 | 1712. | 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 | 1713. | 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 | 1713. | 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 | 1714. | 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 | 1714. | 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 | 1714. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Capillary | Ultra-1 | 1692. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1698. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1712. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 1712. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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.
Medard and Thomas, 1955
Medard, L.; Thomas, M.,
Chaleurs de combustion de sept substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1955, 37, 129-138. [all data]
Tavernier and Lamouroux, 1955
Tavernier, P.; Lamouroux, M.,
Determinations calorimetriques relatives a douze substances organiques susceptibles d'utilisation dans les poudres,
Mem. Poudres, 1955, 37, 197-206. [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]
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]
Helaimia and Messadi, 1989
Helaimia, F.; Messadi, D.,
Determination of linear programmed temperature gas chromatography retention indices for some plasticizers,
C.R. Acad. Sci. Ser. 2:, 1989, 309, 37-42. [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]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [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, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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