Bis(2-ethylhexyl) phthalate
- Formula: C24H38O4
- Molecular weight: 390.5561
- IUPAC Standard InChI: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
- IUPAC Standard InChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-N
- CAS Registry Number: 117-81-7
- 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: Phthalic acid, bis(2-ethylhexyl) ester; Bis(2-ethylhexyl) 1,2-benzenedicarboxylate; Bisoflex 81; Compound 889; Di(ethylhexyl) phthalate; Di(2-ethylhexyl) phthalate; DEHP; DOP; Ethylhexyl phthalate; Eviplast 80; Eviplast 81; Fleximel; Flexol DOP; Kodaflex DOP; Octoil; Octyl phthalate; Palatinol AH; Pittsburgh PX-138; Sicol 150; Staflex DOP; Truflex DOP; Vestinol AH; Vinicizer 80; Witcizer 312; 2-Ethylhexyl phthalate; Phthalic acid di(2-ethylhexyl) ester; Bisoflex DOP; Celluflex DOP; Di(2-ethylhexyl) o-phthalate; Di-sec-octyl phthalate; Flexol plasticizer DOP; Hercoflex 260; NCI-C52733; PX-138; RC plasticizer DOP; BEHP; Bis-(2-ethylhexyl)ester kyseliny ftalove; DAF 68; Di(2-ethylhexyl)orthophthalate; Ergoplast FDO; Good-rite GP 264; Hatcol dop; Mollan O; Nuoplaz DOP; Platinol AH; Platinol DOP; RCRA Waste number U028; Reomol DOP; Reomol D 79P; Ergoplast FDO-S; Bis(2-ethylhexyl) o-phthalate; DOF; 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester; Bis-(2-ethylhexyl)ester kyseliny ftalove (Czech); Bis(2-ethylhexyl)ester phthalic acid; Merrol DOP; Palatinol DOP; Phthalic acid dioctyl ester; Plasthall DOP; Polycizer DOP; Union carbide flexol 380; Hatco DOP; 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester; Vinycizer 80; Sansocizer DOP; Corflex 400; Jayflex DOP; Monocizer DOP; Palatinol AH-L; Dioctyl phthalate; Di-2 ethyl hexyl adipate
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Condensed phase thermochemistry data
Go To: Top, Phase change 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: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°liquid | 193.0 | cal/mol*K | N/A | Rabinovich, Novoselova, et al., 1985 | |
| S°liquid | 180.5 | cal/mol*K | N/A | Rabinovich, Martynenko, et al., 1969 |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 168.4 | 298.15 | Rabinovich, Novoselova, et al., 1985 | T = 14 to 300 K. |
| 160.0 | 300. | Rabinovich, Martynenko, et al., 1969 | T = 80 to 360 K. |
Phase change data
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 657.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 24.50 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 660. K.; AC |
| 26.46 | 390. | T | Perry and Weber, 1949 | Based on data from 385. to 440. K.; AC |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.2481 | 182.5 | crystaline, II | crystaline, I | Rabinovich, Martynenko, et al., 1969 | Glass phase transition.; DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 1.39 | 182.5 | crystaline, II | crystaline, I | Rabinovich, Martynenko, et al., 1969 | Glass; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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)
- LIQUID; PERKIN-ELMER; 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. 2526 FOR "NEAT" RUN; 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
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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
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-8633 |
| NIST MS number | 229113 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rabinovich, Novoselova, et al., 1985
Rabinovich, I.B.; Novoselova, N.V.; Moseeva, E.M.; Babinkov, A.G.; Tsvetkova, L.Ya.,
Low temperature specific heat and thermodynamic functions of dibutyl and dioctyl phthalate,
Zhur. Fiz. Khim., 1985, 59, 2127-2130. [all data]
Rabinovich, Martynenko, et al., 1969
Rabinovich, I.E.; Martynenko, L.Ya.; Maslova, V.A.,
Specific heat and physical properties of some dialkyl phthalates,
Tr. Khim. Khim. Tekhnol. 1969, 1969, No.2, 10-14. [all data]
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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Perry and Weber, 1949
Perry, E.S.; Weber, W.H.,
Vapor Pressures of Phlegmatic Liquids. II. High Molecular Weight Esters and Silicone Oils,
J. Am. Chem. Soc., 1949, 71, 11, 3726-3730, https://doi.org/10.1021/ja01179a039
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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