Propylene Glycol

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-429.8 ± 4.1kJ/molCcbKnauth and Sabbah, 1990ALS
Δfgas-421. ± 3.kJ/molCcbGardner and Hussain, 1972ALS
Δfgas-435.3kJ/molN/AMoureu and Dode, 1937Value computed using ΔfHliquid° value of -500.3±1.8 kj/mol from Moureu and Dode, 1937 and ΔvapH° value of 65.0 kj/mol from Gardner and Hussain, 1972.; DRB

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

Quantity Value Units Method Reference Comment
Δfliquid-501.0 ± 4.1kJ/molCcbKnauth and Sabbah, 1990ALS
Δfliquid-486. ± 3.kJ/molCcbGardner and Hussain, 1972ALS
Δfliquid-500.3 ± 1.8kJ/molCcbMoureu and Dode, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -499.2 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1822.9 ± 4.1kJ/molCcbKnauth and Sabbah, 1990Corresponding Δfliquid = -501.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1838.1 ± 2.3kJ/molCcbGardner and Hussain, 1972Corresponding Δfliquid = -485.76 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1823.5 ± 1.8kJ/molCcbMoureu and Dode, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -1824. kJ/mol; Corresponding Δfliquid = -500.32 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
189.9298.Zaripov, 1982T = 298, 323, 363 K.; DH
177.0303.Kawaizumi, Otake, et al., 1972DH
180.3276.7Parks and Huffman, 1927T = 91 to 277 K. Value is unsmoothed experimental datum.; DH

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:
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil460. ± 2.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap67. ± 8.kJ/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
66.5413.TGAAl-Najjar and Al-Sammerrai, 2007Based on data from 373. to 408. K.; AC
60.0 ± 0.3380.EBSteele, Chirico, et al., 2002Based on data from 365. to 496. K.; AC
56.2 ± 0.2420.EBSteele, Chirico, et al., 2002Based on data from 365. to 496. K.; AC
52.0 ± 0.3460.EBSteele, Chirico, et al., 2002Based on data from 365. to 496. K.; AC
47.5 ± 0.6500.EBSteele, Chirico, et al., 2002Based on data from 365. to 496. K.; AC
58.6333.AStephenson and Malanowski, 1987Based on data from 318. to 461. K. See also Stull, 1947.; AC
64. ± 2.353.VGardner and Hussain, 1972ALS
58.2378.N/ASchierholtz and Staples, 1935Based on data from 353. to 403. K.; AC
56.431.N/ASchierholtz and Staples, 1935Based on data from 403. to 460. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
318.7 to 461.46.079362692.187-17.94Stull, 1947Coefficents calculated by NIST from author's data.

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:


Reaction thermochemistry data

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, 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Propylene Glycol + Acetone = 1,3-Dioxolane, 2,2,4-trimethyl- + Water

By formula: C3H8O2 + C3H6O = C6H12O2 + H2O

Quantity Value Units Method Reference Comment
Δr-3.kJ/molEqkAnteunis and Rommelaere, 1970liquid phase

Propylene Carbonate + 2Methyl Alcohol = Propylene Glycol + Carbonic acid, dimethyl ester

By formula: C4H6O3 + 2CH4O = C3H8O2 + C3H6O3

Quantity Value Units Method Reference Comment
Δr-6.93kJ/molKinZhang and Luo, 1991liquid phase

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 Comment
>100000. EN/AValue obtained by missing citation using the group contribution method.
<6.0×10+6 EN/AValue obtained by missing citation using the group contribution method.

Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH5O+10.04 ± 0.05CH3COEIHolmes and Lossing, 1984LBLHLM
C2H5O+10.16 ± 0.05CH2OHEIHolmes and Lossing, 1984LBLHLM
C2H5O+10.25CH2OHEILossing, 1977LLK

IR Spectrum

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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, Reaction thermochemistry 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

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Mass spectrum
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Additional Data

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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, 1998.
NIST MS number 291457

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, Reaction thermochemistry 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.

Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R., Energetics of inter- and intramolecular bonds in alkanediols. IV. The thermochemical study of 1,2-alkanediols at 298.15 K, Thermochim. Acta, 1990, 164, 145-152. [all data]

Gardner and Hussain, 1972
Gardner, P.J.; Hussain, K.S., The standard enthalpies of formation of some aliphatic diols, J. Chem. Thermodyn., 1972, 4, 819-827. [all data]

Moureu and Dode, 1937
Moureu, H.; Dode, M., Chaleurs de formation de l'oxyde d'ethylene, de l'ethanediol et de quelques homologues, Bull. Soc. Chim. France, 1937, 4, 637-647. [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]

Zaripov, 1982
Zaripov, Z.I., Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]

Kawaizumi, Otake, et al., 1972
Kawaizumi, F.; Otake, T.; Nomura, H.; Miyahara, Y., Heat capacities of aqueous solutions of ethylene glycol, propylene glycol and 1,3-butanediol, Nippon Kagaku. Kaishi, 1972, 1972, 1733-1776. [all data]

Parks and Huffman, 1927
Parks, G.S.; Huffman, H.M., Studies on glass. I. The transition between the glassy and liquid states in the case of some simple organic compounds, J. Phys. Chem., 1927, 31, 1842-1855. [all data]

Al-Najjar and Al-Sammerrai, 2007
Al-Najjar, Hazim; Al-Sammerrai, Dhoaib, Thermogravimetric determination of the heat of vaporization of some highly polar solvents, J. Chem. Technol. Biotechnol., 2007, 37, 3, 145-152, https://doi.org/10.1002/jctb.280370302 . [all data]

Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Measurements of Vapor Pressure, Heat Capacity, and Density along the Saturation Line for γ-Caprolactam, Pyrazine, 1,2-Propanediol, Triethylene Glycol, Phenyl Acetylene, and Diphenyl Acetylene, J. Chem. Eng. Data, 2002, 47, 4, 689-699, https://doi.org/10.1021/je010085z . [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Schierholtz and Staples, 1935
Schierholtz, O.J.; Staples, M.L., Vapor Pressures of Certain Glycols, J. Am. Chem. Soc., 1935, 57, 12, 2709-2711, https://doi.org/10.1021/ja01315a106 . [all data]

Anteunis and Rommelaere, 1970
Anteunis, M.; Rommelaere, Y., NMR experiments on acetals. XXIX. The ease of acetonide formation of some glycols, Bull. Soc. Chim. Belg., 1970, 79, 523-530. [all data]

Zhang and Luo, 1991
Zhang, S.; Luo, Y., Kinetics and technological conditions for the synthesis of dimethyl carbonate, Chem. React. Eng. Tech., 1991, 7, 10-19. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]


Notes

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