Dimethyl phthalate

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-606.1 ± 2.7kJ/molCcbRoux, Jimenez, et al., 1998 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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:
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
Δcliquid-4702.0kJ/molCcbHandrick, 1956Naval Powder Factory, 1952; Corresponding Δfliquid = -662.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid365.5J/mol*KN/AMartynenko, Rabinovich, et al., 1970DH
Quantity Value Units Method Reference Comment
Δfsolid-683.8 ± 2.7kJ/molCcbRoux, Jimenez, et al., 1998ALS
Quantity Value Units Method Reference Comment
Δcsolid-4680.4 ± 2.4kJ/molCcbRoux, Jimenez, et al., 1998Corresponding Δfsolid = -683.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
303.8300.Martynenko, Rabinovich, et al., 1970T = 60 to 360 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas phase ion energetics 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil555.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil555.5KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus273.KN/ABuckingham and Donaghy, 1982BS
Tfus273.2KN/ADozen, Fujishima, et al., 1978Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple274.18KN/AMartynenko, Rabinovich, et al., 1970, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δsub77.7kJ/molN/ARoux, Jimenez, et al., 1998DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
389. to 389.60.003Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
61.5481.EBRohác, Musgrove, et al., 1999Based on data from 466. to 518. K.; AC
69.4 ± 0.1365.CMaksimuk, Kabo, et al., 1998AC
72.5 ± 0.6344.CMaksimuk, Kabo, et al., 1998AC
74.5 ± 0.3326.CMaksimuk, Kabo, et al., 1998AC
78.7319.AStephenson and Malanowski, 1987Based on data from 304. to 371. K.; AC
63.7386.AStephenson and Malanowski, 1987Based on data from 371. to 547. K.; AC
68.6409.N/ADavydova, Makolkin, et al., 1969Based on data from 377. to 440. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
16.945274.18Martynenko, Rabinovich, et al., 1970DH
16.95274.2Maksimuk, Kabo, et al., 1998AC
16.95274.2Acree, 1993AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
61.8274.18Martynenko, Rabinovich, et al., 1970DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
3000.5700.XN/A

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.550032ECDKuhn, Levins, et al., 1968Done at constant temperature, accuracy uncertain: Chen and Wentworth, 1989;; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.64 ± 0.07EIKuhn, Levins, et al., 1968RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4+14.7 ± 0.2?EIGrutzmacher and Lohmann, 1967RDSH

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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 NIST Mass Spectrometry Data Center, 2010
NIST MS number 378702

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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.

Roux, Jimenez, et al., 1998
Roux, M.A.; Jimenez, P.; Davalos, J.Z.; Turrion, C.; Afeefy, H.Y.; Liebman, J.F., Enthalpies of formation of methyl benzenecarboxylates, J. Chem. Soc. Faraday Trans., 1998, 94, 887-890. [all data]

Handrick, 1956
Handrick, G.R., Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]

Martynenko, Rabinovich, et al., 1970
Martynenko, L.Ya.; Rabinovich, I.B.; Ovchinnikov, Yu.V.; Maslova, V.A., Heat capacity of the systems polyvinyl chloride-dioctylphthalate and polyvinyl chloride-dibutylphthalate, Polymer Sci., 1970, USSR 12A, 952-961. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Dozen, Fujishima, et al., 1978
Dozen, Y.; Fujishima, S.; Shingu, H., Structures and fusion parameters of methoxycarbonyl-benzenes and -naphthalenes, Thermochim. Acta, 1978, 25, 2, 209, https://doi.org/10.1016/0040-6031(78)85008-4 . [all data]

Martynenko, Rabinovich, et al., 1970, 2
Martynenko, L.Ya.; Rabinovich, I.B.; Ovchinnikov, Yu.V.; Maslova, V.A., Heat capacity of the systems polyvinyl chloride-dioctylphthalate and polyvinyl chloride-dibutylphthalate, Polym. Sci. USSR (Engl. Transl.), 1970, 12, 952. [all data]

Rohác, Musgrove, et al., 1999
Rohác, Vladislav; Musgrove, Jana E.; Ruzicka, Kvetoslav; Ruzicka, Vlastimil; Zábranský, Milan; Aim, Karel, Thermodynamic properties of dimethyl phthalate along the (vapour + liquid) saturation curve, The Journal of Chemical Thermodynamics, 1999, 31, 8, 971-986, https://doi.org/10.1006/jcht.1999.0494 . [all data]

Maksimuk, Kabo, et al., 1998
Maksimuk, Yury V.; Kabo, Gennady J.; Simirsky, Vladimir V.; Kozyro, Alexander A.; Sevruk, Victor M., Standard Enthalpies of Formation of Some Methyl Esters of Benzene Carboxylic Acids, J. Chem. Eng. Data, 1998, 43, 3, 293-298, https://doi.org/10.1021/je970116j . [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]

Davydova, Makolkin, et al., 1969
Davydova, Zh.V.; Makolkin, I.A.; Bataev, P.S., Zh. Obshch. Khim., 1969, 39, 8, 1668. [all data]

Acree, 1993
Acree, William E., Thermodynamic properties of organic compounds, Thermochimica Acta, 1993, 219, 97-104, https://doi.org/10.1016/0040-6031(93)80486-T . [all data]

Kuhn, Levins, et al., 1968
Kuhn, W.F.; Levins, R.J.; Lilly, A.C., Jr., Electron affinities and ionization potentials of phthalate compounds, J. Chem. Phys., 1968, 49, 5550. [all data]

Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E., Experimental Determination of Electron Affinities of Organic Molecules, Mol. Cryst. Liq. Cryst., 1989, 171, 271. [all data]

Grutzmacher and Lohmann, 1967
Grutzmacher, H.-F.; Lohmann, J., Massenspektrometrie instabiler organischer Molekule. I. Ionisations-potential und Bildungsenthalpie von Dehydrobenzol, Ann. Chem., 1967, 705, 81. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References