1,5-Pentanediol

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Gas 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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-442.0 ± 5.7kJ/molCcrKnauth and Sabbah, 1990see Knauth and Sabbah, 1989; ALS
Δfgas-449. ± 3.kJ/molCcbGardner and Hussain, 1972ALS
Δfgas-444.5kJ/molN/AMiller, 1936Value computed using ΔfHliquid° value of -526.5 kj/mol from Miller, 1936 and ΔvapH° value of 82.0 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-528.8 ± 5.7kJ/molCcrKnauth and Sabbah, 1990see Knauth and Sabbah, 1989; ALS
Δfliquid-531. ± 3.kJ/molCcbGardner and Hussain, 1972ALS
Δfliquid-526.51kJ/molCcbMiller, 1936%hf calculated possible error by author; ALS
Quantity Value Units Method Reference Comment
Δcliquid-3153.7 ± 5.7kJ/molCcrKnauth and Sabbah, 1990see Knauth and Sabbah, 1989; Corresponding Δfliquid = -528.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3151.1 ± 2.8kJ/molCcbGardner and Hussain, 1972Corresponding Δfliquid = -531.49 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3156.kJ/molCcbMiller, 1936%hf calculated possible error by author; Corresponding Δfliquid = -526.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid321.3J/mol*KN/AMiller, 1935Extrapolation below 90 K, 78.49 J/mol*K.; 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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
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
Tboil512. ± 7.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus378.KN/ALipkin and Layloff, 1970Uncertainty assigned by TRC = 2. K; TRC
Tfus257.55KN/AMellan, 1962Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple254.4KN/AKnauth and Sabbah, 1990, 2Uncertainty assigned by TRC = 0.1 K; TRC
Ttriple248.0KN/ANitta, Seki, et al., 1950Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple248.KN/AMiller, 1936, 2Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Δvap86.8kJ/molN/AKnauth and Sabbah, 1990DRB
Δvap86.8 ± 0.5kJ/molCKnauth and Sabbah, 1988See also Knauth and Sabbah, 1990.; AC
Δvap86.8 ± 0.5kJ/molCKnauth and Sabbah, 1988, 2ALS
Δvap82.0kJ/molN/AGardner and Hussain, 1972DRB

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
78.6406.AStephenson and Malanowski, 1987Based on data from 391. to 479. K.; AC
82. ± 2.446.VGardner and Hussain, 1972ALS

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
15.72248.Domalski and Hearing, 1996AC
15.728248.0Miller, 1935DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
63.4248.0Miller, 1935DH

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

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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: 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
4.0×10+6 EN/AValue obtained by missing citation using the group contribution method.

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)

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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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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 Japan AIST/NIMC Database- Spectrum MS-NW-1716
NIST MS number 229403

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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 intra- and intermolecular bonds in ω-alkanediols (II) Thermochemical study of 1,2-ethanediol, 1,3-propanediol, 1,4-butanediol, and 1,5-pentanediol at 298.15K, Struct. Chem., 1990, 1, 43-46. [all data]

Knauth and Sabbah, 1989
Knauth, P.; Sabbah, R., Combustion calorimetry on milligram samples of liquid substances with a CRMT rocking bomb calorimeter. Application to the study of ω-alkanediol at 298.15 K, J. Chem. Thermodyn., 1989, 21, 203-210. [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]

Miller, 1936
Miller, P., The free energy of furfural and some of its derivatives, Iowa State Coll. J. Sci., 1936, 10, 91-93. [all data]

Miller, 1935
Miller, P., The free energy of furfural and some of its derivatives, Iowa State Coll. J. Sci., 1935, 10, 91-93. [all data]

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]

Mellan, 1962
Mellan, I., Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]

Knauth and Sabbah, 1990, 2
Knauth, P.; Sabbah, R., Can. J. Chem., 1990, 68, 731. [all data]

Nitta, Seki, et al., 1950
Nitta, I.; Seki, S.; Momotani, M., The Phase Transition in Pentaerythritol I., Proc. Jpn. Acad., 1950, 26, 9, 25-9. [all data]

Miller, 1936, 2
Miller, P., The Free Energy of Furfural and Some of Its Derivatives, Iowa State Coll. J. Sci., 1936, 10, 91-3. [all data]

Knauth and Sabbah, 1988
Knauth, P.; Sabbah, R., Energetics of intra- and intermolecular bonds in ω-alkanediols.  I.  Calorimetric investigation of the enthalpies of vaporization at 298.15 K, Bull. Soc. Chim. Fr., 1988, 5, 834. [all data]

Knauth and Sabbah, 1988, 2
Knauth, P.; Sabbah, R., Energetique des liaisons intra- et intermoleculaires dans la serie des <omega>-alcanediols. I : etude calorimetrique des enthalpies de vaporisation a 298,15 K, Bull. Soc. Chim. Fr., 1988, 834-836. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

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