1,5-Pentanediol
- Formula: C5H12O2
- Molecular weight: 104.1476
- IUPAC Standard InChI: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
- IUPAC Standard InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N
- CAS Registry Number: 111-29-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: α,ω-Pentanediol; Pentamethylene glycol; Pentylene glycol; 1,5-Dihydroxypentane; 1,5-Pentamethylene glycol; Pentane-1,5-diol; 1,5-Pentandiol; 1,5-Pentylene glycol; Pentane diol-1,5; NSC 5927
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Phase change data
Go To: Top, Gas Chromatography, 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
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 |
|---|---|---|---|---|---|
| Tboil | 512. ± 7. | K | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 378. | K | N/A | Lipkin and Layloff, 1970 | Uncertainty assigned by TRC = 2. K; TRC |
| Tfus | 257.55 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 0.6 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Ttriple | 254.4 | K | N/A | Knauth and Sabbah, 1990 | Uncertainty assigned by TRC = 0.1 K; TRC |
| Ttriple | 248.0 | K | N/A | Nitta, Seki, et al., 1950 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Ttriple | 248. | K | N/A | Miller, 1936 | Uncertainty assigned by TRC = 0.4 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 20.7 | kcal/mol | N/A | Knauth and Sabbah, 1990, 2 | DRB |
| ΔvapH° | 20.7 ± 0.1 | kcal/mol | C | Knauth and Sabbah, 1988 | See also Knauth and Sabbah, 1990, 2.; AC |
| ΔvapH° | 20.7 ± 0.1 | kcal/mol | C | Knauth and Sabbah, 1988, 2 | ALS |
| ΔvapH° | 19.6 | kcal/mol | N/A | Gardner and Hussain, 1972 | DRB |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 18.8 | 406. | A | Stephenson and Malanowski, 1987 | Based on data from 391. to 479. K.; AC |
| 19.7 ± 0.4 | 446. | V | Gardner and Hussain, 1972 | ALS |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.757 | 248. | Domalski and Hearing, 1996 | AC |
| 3.7591 | 248.0 | Miller, 1935 | DH |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 15.2 | 248.0 | Miller, 1935 | DH |
Gas Chromatography
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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon L | 160. | 993. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | SE-30 | 175. | 1029. | Casteignau and Villessot, 1968 | Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1016. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
References
Go To: Top, Phase change data, Gas Chromatography, 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]
Mellan, 1962
Mellan, I.,
Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]
Knauth and Sabbah, 1990
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
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, 1990, 2
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, 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]
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]
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]
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]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Casteignau and Villessot, 1968
Casteignau, G.; Villessot, D.,
Identification par chromatographie en phase gaseuse de composés difonctionnels insaturés. I. Synthèse et indices de rétention,
Bull. Soc. Chim. Fr., 1968, 9, 3893-3903. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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