1,4-Butanediol
- Formula: C4H10O2
- Molecular weight: 90.1210
- IUPAC Standard InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N
- CAS Registry Number: 110-63-4
- 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: Diol 14B; Sucol B; Tetramethylene glycol; 1,4-Butylene glycol; 1,4-Dihydroxybutane; 1,4-Tetramethylene glycol; Butane-1,4-diol; Butanediol; 1,4-BD; Tetramethylene 1,4-diol; BDO; Butylene glycol; Dabco BDO; Butane diol-1,4; NSC 406696
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Gas phase thermochemistry data
Go To: Top, Phase change data, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -426.0 ± 5.7 | kJ/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989 |
ΔfH°gas | -427. ± 3. | kJ/mol | Ccb | Gardner and Hussain, 1972 |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 503.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 502.88 | K | N/A | Markovnik, Sachek, et al., 1981 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tboil | 501.15 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 503.15 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 501.15 | K | N/A | Clendenning, Macdonald, et al., 1950 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 300. ± 40. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 289.9 | K | N/A | Knauth and Sabbah, 1990, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 293.58 | K | N/A | Vasil'ev and Petrov, 1984 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 293.38 | K | N/A | Nistratov, Babinkov, et al., 1979 | Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 293.58 | K | N/A | Nistratov, Babinkov, et al., 1979 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 727. | K | N/A | Wilson, Wilson, et al., 1996 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 62.20 | bar | N/A | Wilson, Wilson, et al., 1996 | Uncertainty assigned by TRC = 1.50 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 78. ± 3. | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
393.2 | 0.013 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
72. | 395. | A | Stephenson and Malanowski, 1987 | Based on data from 380. to 510. K.; AC |
77. ± 2. | 419. | V | Gardner and Hussain, 1972 | ALS |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.700 | 293.58 | Nistratov, Babinkov, et al., 1979, 2 | DH |
18.7 | 293.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
63.72 | 293.58 | Nistratov, Babinkov, et al., 1979, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, 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
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 | 291303 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, 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]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Markovnik, Sachek, et al., 1981
Markovnik, V.S.; Sachek, A.I.; Peshchenko, A.D.; Shvaro, O.V.; Andreyevskii, D.N.,
Vapor pressure of some glycols
in Terodinamika Organ. Soedinenii., Gorkii, p 54, 1981. [all data]
Mellan, 1962
Mellan, I.,
Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]
Clendenning, Macdonald, et al., 1950
Clendenning, K.A.; Macdonald, F.J.; Wright, D.E.,
Effects of position isomerism on the physical properties of glycols,
Can. J. Res., Sect. B, 1950, 28, 608-22. [all data]
Knauth and Sabbah, 1990, 2
Knauth, P.; Sabbah, R.,
Can. J. Chem., 1990, 68, 731. [all data]
Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M.,
Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]
Nistratov, Babinkov, et al., 1979
Nistratov, V.P.; Babinkov, A.G.; Shvetsova, K.G.; Kapteva, S.A.,
Heat capacity and thermodynamic functions of tetramethylene glycol.,
Termodin. Org. Soedin., 1979, No. 8, 33. [all data]
Wilson, Wilson, et al., 1996
Wilson, L.C.; Wilson, H.L.; Wilding, W.V.; Wilson, G.M.,
Critical Point Measurements for Fourteen Compounds by a Static Method and a Flow Method,
J. Chem. Eng. Data, 1996, 41, 1252-4. [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]
Nistratov, Babinkov, et al., 1979, 2
Nistratov, V.P.; Babinkov, A.G.; Shvetsova, K.G.; Lapteva, S.A.,
Heat capacity and termodynamic functions of tetramethyleneglycol,
Termodin. Org. Soedin., 1979, (8), 33-36. [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, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions 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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