Di-n-octyl phthalate

• Formula: C₂₄H₃₈O₄
• Molecular weight: 390.5561
• IUPAC Standard InChI: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: MQIUGAXCHLFZKX-UHFFFAOYSA-N Copy
• CAS Registry Number: 117-84-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1,2-Benzenedicarboxylic acid, dioctyl ester; Phthalic acid, dioctyl ester; n-Octyl phthalate; Dinopol NOP; Dioctyl o-benzenedicarboxylate; Dioctyl phthalate; Octyl phthalate; Polycizer 162; 1,2-Benzenedicarbonic acid, dioctyl ester; Dicapryl phthalate; Dioctyl 1,2-benzenedicarboxylate; Vinicizer 85; o-Benzenedicarboxylic acid, dioctyl ester; Celluflex dop; Dioktylester kyseliny ftalove; DNOP; PX-138; Rcra waste number U107; Dioctyl o-phthalate; 1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester; NSC 15318; Vinycizer 85
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• 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

• gas

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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Lee's RI, non-polar column, temperature ramp

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References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

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]

Seliverstov, 1970
Seliverstov, V.M., Solubility of difluoromonochloromethane in certain phthalates, dioctyl sebacate, triacetin, and dimethylformamide, Zh. Prikl. Khim. (Leningrad), 1970, 43, 1605-7. [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]

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]

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]

Liang, 2010
Liang, Y., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2010. [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]

Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F., Application of gas chromatographic retention properties to the identification of environmental contaminants, J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I . [all data]

Viau, Studak, et al., 1984
Viau, A.C.; Studak, S.M.; Karasek, F.W., Comparative analysis of hazardous compounds on flu-ash from municipal waste incineration by gas chromatography / mass spectrometry, Can. J. Chem., 1984, 62, 11, 2140-2145, https://doi.org/10.1139/v84-366 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Tboil	Boiling point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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