1,3-Propanediol

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

Quantity Value Units Method Reference Comment
Tboil487. ± 3.KAVGN/AAverage of 11 out of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus332.KN/ALipkin and Layloff, 1970Uncertainty assigned by TRC = 2. K; TRC
Tfus246.5KN/AAnonymous, 1953Uncertainty assigned by TRC = 0.6 K; TRC
Tfus241.15KN/AGallaugher and Hibbert, 1936Uncertainty assigned by TRC = 0.7 K; TRC
Quantity Value Units Method Reference Comment
Ttriple245.5KN/AKnauth and Sabbah, 1990Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δvap17. ± 1.kcal/molAVGN/AAverage of 11 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
383.20.016Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.7347.AStephenson and Malanowski, 1987Based on data from 332. to 448. K. See also Stull, 1947.; AC
17.4 ± 0.5383.VGardner and Hussain, 1972ALS
13.83273.VGallaugher and Hibbert, 1937ALS
15.1408.N/ASchierholtz and Staples, 1935Based on data from 383. to 433. K.; AC
14.4460.N/ASchierholtz and Staples, 1935Based on data from 433. to 488. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
332.6 to 487.46.289523105.0186.101Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
2.72249.DSCJabrane, Létoffé, et al., 1998AC

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:


Gas phase ion energetics data

Go To: Top, Phase change data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
Proton affinity (review)209.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity197.4kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
>203.3Bouchoux, Buisson, et al., 2003MM
>200.3Bouchoux, Buisson, et al., 2003MM
>205.0 ± 0.1Bouchoux, Buisson, et al., 2003MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
196.0Bouchoux, Buisson, et al., 2003MM
193.1Bouchoux, Buisson, et al., 2003MM
197.7 ± 0.05Bouchoux, Buisson, et al., 2003MM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5O+10.42 ± 0.05?EIBurgers, Terlouw, et al., 1982LBLHLM
C2H6O+10.80CH2OEIPostma, Ruttink, et al., 1986LBLHLM
C2H6O+11.0 ± 0.1CH2OEIHolmes, Lossing, et al., 1982LBLHLM

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lipkin and Layloff, 1970
Lipkin, D.; Layloff, T., Cyclic Sulfite and Sulfate Esters of Polymethylene Glycols, J. Chem. Eng. Data, 1970, 15, 450. [all data]

Anonymous, 1953
Anonymous, R., , Physical Properties of Chemical Substances, Dow Chemical Company, 1953. [all data]

Gallaugher and Hibbert, 1936
Gallaugher, A.F.; Hibbert, H., Studies on reactions relating to carbohydrates and polysaccharides: xlix molecular weight, molar refraction, freezing point and other properties of the polyethylene glycols and their derivatives, J. Am. Chem. Soc., 1936, 58, 813. [all data]

Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R., Can. J. Chem., 1990, 68, 731. [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]

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]

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]

Gallaugher and Hibbert, 1937
Gallaugher, A.F.; Hibbert, H., Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives, J. Am. Chem. Soc., 1937, 59, 2521-2525. [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]

Jabrane, Létoffé, et al., 1998
Jabrane, S.; Létoffé, J.M.; Claudy, P., Study of the thermal behaviour of 1,3-propanediol and its aqueous solutions, Thermochimica Acta, 1998, 311, 1-2, 121-127, https://doi.org/10.1016/S0040-6031(97)00416-4 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Bouchoux, Buisson, et al., 2003
Bouchoux, G.; Buisson, D.A.; Bourcier, S.; Sablier, M., Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments, Int. J. Mass Spectrom., 2003, 228, 1035. [all data]

Burgers, Terlouw, et al., 1982
Burgers, P.C.; Terlouw, J.K.; Holmes, J.L., The vinyloxonium cation, CH2=CH-OH2+, a stable [C2H5O]+ species in the gas phase, Org. Mass Spectrom., 1982, 17, 369. [all data]

Postma, Ruttink, et al., 1986
Postma, R.; Ruttink, P.J.A.; Van Baar, B.; Terlouw, J.K.; Holmes, J.L.; Burgers, P.C., Isometric distonic and H-bridged [C2H6O]+ radical cations, Chem. Phys. Lett., 1986, 123, 409. [all data]

Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C., The radical cation [CH2OH2]+ and related stable gas phase ion-dipole complexes, J. Am. Chem. Soc., 1982, 104, 2931. [all data]


Notes

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