- InChI
- InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
- InChI Key
- WERYXYBDKMZEQL-UHFFFAOYSA-N
- Formula
- C4H10O2
- SMILES
- OCCCCO
- Molecular Weight1
- 90.12
- CAS
- 110-63-4
- Other Names
-
- 1,4-BD
- 1,4-Butylene glycol
- 1,4-Tetramethylene glycol
- 1,4-dihydroxybutane
- BDO
- Butane diol-1,4
- Butanediol
- Butylene glycol
- Dabco BDO
- Diol 14B
- NSC 406696
- Sucol B
- Tetramethylene 1,4-diol
- butane-1,4-diol
- tetramethylene glycol
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7236 | Relay (1.0) Calculated Property | |
| PAff | [871.70; 915.60] | kJ/mol |
|
| PAff | 915.60 | kJ/mol | NIST |
| PAff | 875.00 | kJ/mol | NIST |
| PAff | 871.70 | kJ/mol | NIST |
| PAff | 884.30 ± 0.50 | kJ/mol | NIST |
| BasG | [841.20; 854.90] | kJ/mol |
|
| BasG | 854.90 | kJ/mol | NIST |
| BasG | 843.50 | kJ/mol | NIST |
| BasG | 841.20 | kJ/mol | NIST |
| BasG | 852.90 ± 0.50 | kJ/mol | NIST |
| ΔcH°liquid | [-2499.90; -2495.50] | kJ/mol |
|
| ΔcH°liquid | -2495.50 ± 5.70 | kJ/mol | NIST |
| ΔcH°liquid | -2499.90 ± 2.00 | kJ/mol | NIST |
| Cp,liquid | 203.79 | J/mol×K | Molar heat capacities for {isomer of butanediol + methanol} as function of mixture composition and temperature |
| ΔfG° | -290.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-427.00; -426.00] | kJ/mol |
|
| ΔfH°gas | -426.00 ± 5.70 | kJ/mol | NIST |
| ΔfH°gas | -427.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | [-505.30; -503.00] | kJ/mol |
|
| ΔfH°liquid | -505.30 ± 5.70 | kJ/mol | NIST |
| ΔfH°liquid | -503.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 14.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [76.00; 79.30] | kJ/mol |
|
| ΔvapH° | 79.00 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 78.30 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 79.30 | kJ/mol | NIST |
| ΔvapH° | 79.30 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 79.30 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 76.10 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 76.00 | kJ/mol | NIST |
| ΔvapH° | 76.60 ± 1.70 | kJ/mol | NIST |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.249 | Crippen Calculated Property | |
| McVol | 78.960 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | 6220.00 ± 150.00 | kPa | NIST |
| Inp | [900.00; 931.00] |
|
|
| Inp | 900.00 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | 912.40 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 912.40 | NIST | |
| I | [1861.00; 1911.00] |
|
|
| I | 1890.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1870.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1861.00 | NIST | |
| S°liquid | 223.40 | J/mol×K | NIST |
| Tboil | [501.05; 503.20] | K |
|
| Tboil | 501.05 | K | Isobaric Vapor Liquid Equilibrium for Two Binary Systems (n-Butanol + 1,4-Butanediol and .gamma.-Butyrolactone + 1,4-Butanediol) at p = (30.0, 50.0, and 70.0) kPa |
| Tboil | 501.15 | K | Isobaric Vapor-Liquid Equilibrium for Binary System of Tetrahydrofuran + 1,4-Butanediol and gamma-Butyrolactone at 50.0 and 70.0 kPa |
| Tboil | 503.20 | K | NIST |
| Tboil | 502.88 ± 0.05 | K | NIST |
| Tboil | 501.15 ± 2.00 | K | NIST |
| Tboil | 503.15 ± 2.00 | K | NIST |
| Tboil | 501.15 ± 1.00 | K | NIST |
| Tc | [727.00; 728.00] | K |
|
| Tc | 728.00 | K | Critical temperatures and pressures of straight-chain alkanediols (C3 to C12) |
| Tc | 727.00 ± 3.00 | K | NIST |
| Tfus | [289.40; 355.40] | K |
|
| Tfus | 292.80 ± 0.50 | K | NIST |
| Tfus | Outlier 355.40 ± 1.00 | K | NIST |
| Tfus | 294.05 ± 0.60 | K | NIST |
| Tfus | 289.40 ± 1.20 | K | NIST |
| Tfus | 292.15 ± 2.00 | K | NIST |
| Tfus | 289.90 ± 3.00 | K | NIST |
| Tfus | 292.40 ± 0.70 | K | NIST |
| Ttriple | [289.90; 293.58] | K |
|
| Ttriple | 289.90 ± 0.10 | K | NIST |
| Ttriple | 293.58 ± 0.02 | K | NIST |
| Ttriple | 293.38 ± 0.10 | K | NIST |
| Ttriple | 293.58 ± 0.05 | K | NIST |
| Ttriple | 289.90 ± 0.10 | K | NIST |
| Ttriple | 293.38 ± 0.10 | K | NIST |
| Ttriple | 293.58 ± 0.05 | K | NIST |
| Vc | 0.289 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [387.92; 530.19] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61683e+01 | |||
| Coefficient B | -4.88254e+03 | |||
| Coefficient C | -8.04700e+01 | |||
| Temperature range, min. | 387.92 | |||
| Temperature range, max. | 530.19 | |||
| Pvap | 1.33 | kPa | 387.92 | Calculated Property |
| Pvap | 2.90 | kPa | 403.73 | Calculated Property |
| Pvap | 5.86 | kPa | 419.54 | Calculated Property |
| Pvap | 11.13 | kPa | 435.34 | Calculated Property |
| Pvap | 20.02 | kPa | 451.15 | Calculated Property |
| Pvap | 34.30 | kPa | 466.96 | Calculated Property |
| Pvap | 56.36 | kPa | 482.77 | Calculated Property |
| Pvap | 89.17 | kPa | 498.57 | Calculated Property |
| Pvap | 136.45 | kPa | 514.38 | Calculated Property |
| Pvap | 202.65 | kPa | 530.19 | Calculated Property |
| Pvap | [8.47e-04; 4890.03] | kPa | [293.05; 667.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 5.07189e+01 | |||
| Coefficient B | -9.72020e+03 | |||
| Coefficient C | -4.35830e+00 | |||
| Coefficient D | 1.55136e-06 | |||
| Temperature range, min. | 293.05 | |||
| Temperature range, max. | 667.00 | |||
| Pvap | 8.47e-04 | kPa | 293.05 | Calculated Property |
| Pvap | 0.03 | kPa | 334.60 | Calculated Property |
| Pvap | 0.47 | kPa | 376.15 | Calculated Property |
| Pvap | 4.13 | kPa | 417.70 | Calculated Property |
| Pvap | 23.71 | kPa | 459.25 | Calculated Property |
| Pvap | 100.14 | kPa | 500.80 | Calculated Property |
| Pvap | 334.75 | kPa | 542.35 | Calculated Property |
| Pvap | 934.11 | kPa | 583.90 | Calculated Property |
| Pvap | 2261.64 | kPa | 625.45 | Calculated Property |
| Pvap | 4890.03 | kPa | 667.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediol.
Mixtures
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,4-Butanediol + Ethanol
- Ethane, 1,1'-[methylenebis(oxy)]bis- + 1,4-Butanediol
- 1,4-Butanediol + 2-Pyrrolidinone, 1-methyl-
- 1,4-Butanediol + 1-Butanol
- 1,4-Butanediol + Water
- 1,4-Butanediol + Methyl Alcohol
- 1,4-Butanediol + Butanoic acid, ethyl ester
- Choline chloride + 1,4-Butanediol
- 2-Pyrrolidinone + 1,4-Butanediol
- 1,4-Butanediol + Sodium bromide + Water
- 1,4-Butanediol + Water + Ammonium bromide
- 1,4-Butanediol + Tetraethylammonium bromide + Water
- 1,4-Butanediol + 1-Pentanol
- 1,4-Butanediol + 1-Butanol, 3-methyl-
- 1,4-Butanediol + Formamide, N,N-dimethyl-
- 1,4-Butanediol + Formamide
- 1,4-Butanediol + Glycine + Water
- 1,4-Butanediol + dl-Alanine + Water
- 1,4-Butanediol + D-Valine + Water
- 1,4-Butanediol + 1,4-Dioxane
Find more mixtures with 1,4-Butanediol.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Densities, Ultrasonic Speeds, and Excess Properties of Binary Mixtures of Diethylene Glycol with 1-Butanol, 2-Butanol, and 1,4-Butanediol at Different Temperatures
- Isopiestic determination of osmotic and activity coefficients of aqueous solutions of aliphatic polyols at 298.15K
- Molecular interactions in binary mixtures of formamide with 1-butanol, 2-butanol, 1,3-butanediol and 1,4-butanediol at different temperatures: An ultrasonic and viscometric study
- Liquid phase behavior of hexafluorophosphate ionic liquids with polyhydric alcohols
- Excess volumes and excess heat capacities for alkanediol + water systems in the temperature interval (283.15-313.15) K
- Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
- Prediction of refractive index and density of deep eutectic solvents using atomic contributions
- Thermodynamics of phase transfer for polar molecules from alkanes to deep eutectic solvents
- Effect of placement of hydroxyl groups in isomeric butanediol on the behaviour of thermophysical and spectroscopic properties of pyrrolidin-2-one
- Measurement and correlation of excess molar enthalpy for(1,2-propanediol, or 1,3-propanediol, or 1,4-butanediol + water) at the temperatures (298.15, 323.15, and 343.15) K
- A comparative study of thermophysical and spectroscopic properties in mixtures of isomeric butanediol and N,N-dimethylformamide
- Partial molar volumes of organic solutes in water. XV. Butanediols(aq) at temperatures from (298 K to 573 K) and at pressures up to 30 MPa
- Molar heat capacities for (1-butanol + 1,4-butanediol, 2,3-butanediol, 1,2-butanediol, and 2-methyl-2,4-pentanediol) as function of temperature
- Volumetric, ultrasonic, and viscometric behaviour of glycine, DL-alanine, and L-valine in aqueous 1,4-butanediol solutions at different temperatures
- Thermodynamic, transport, and spectroscopic studies for mixtures of isomeric butanediol and N-methyl-2-pyrrolidinone
- Thermodynamic and transport properties of (1-Butanol + 1,4-Butanediol) at temperatures from (298.15 to 318.15) K
- Experimental study of the excess molar volume of ternary mixtures containing {water + (1,2-propanediol, or 1,3-propanediol, or 1,2-butanediol, or 1,3-butanediol, or 1,4-butanediol, or 2,3-butanediol) + electrolytes} at a temperature of 298.15 K and atmospheric pressure
- Dielectric properties of binary mixtures of three butanediols with 1,4-dioxane and 2-ethyl-1-hexanol at T = 298.2 K
- The effect of temperature and pressure on acoustic and thermodynamic properties of 1,4-butanediol. The comparison with 1,2- and 1,3-butanediols
- A thermodynamic study of solute solvent interactions through dielectric properties of the mixtures consisting of 1,4-butanediol, 1-octanol, and 1,4-dioxane at different temperatures
- Effect of B-cyclodextrin on the behaviour of thermophysical and spectroscopic properties of binary mixtures of (isomeric butanediol + pyrrolidin-2-one)
- Investigation on some thermophysical properties of poly(ethylene glycol) binary mixtures at different temperatures
- Molar heat capacities for {isomer of butanediol + methanol} as function of mixture composition and temperature
- Study of intermolecular interactions through dielectric properties of the mixtures consisting of 1,4-butanediol, primary amyl alcohols and 1,4-dioxane at various temperatures
- Measurement and thermodynamic modeling of ternary (liquid + liquid) equilibrium for extraction of ethanol from diethoxymethane solution with different solvents
- Acoustic and volumetric study of renewable oxygenated fuel additives at (298.15-323.15) K: Isomeric butanediols with ethylbutyrate
- Enthalpies of dilution of aqueous solutions of n-butanol, butanediols, 1,2,4-butanetriol, and 1,2,3,4-butanetetrol at 298.15K
- Solubility of Etoricoxib in Aqueous Solutions of 1,4-Butanediol, 1,4-Dioxane, N,N-Dimethylacetamide, N,N-Dimethylformamide, Dimethyl Sulfoxide, and Ethanol at 298.2 K
- Isobaric Vapor Liquid Equilibrium for Two Binary Systems (n-Butanol + 1,4-Butanediol and .gamma.-Butyrolactone + 1,4-Butanediol) at p = (30.0, 50.0, and 70.0) kPa
- Isobaric Vapor Liquid Equilibrium for Two Binary Systems, (3-Methyl-1-butanol + 1,4-Butanediol) and (Hexylene Glycol + 1,4-Butanediol), at p = 40.0, 60.0, and 80.0 kPa
- Isobaric Vapor-Liquid Equilibrium for Binary System of Tetrahydrofuran + 1,4-Butanediol and gamma-Butyrolactone at 50.0 and 70.0 kPa
- Solubility of Acetylene in Alcohols and Ketones
- Liquid-Liquid Equilibria in Binary Mixtures of Dihydroxy Alcohols and Imidazolium-Based Ionic Liquids
- Densities, Dynamic Viscosities, Speeds of Sound, and Relative Permittivities for Water + Alkanediols (Propane-1,2- and -1,3-diol and Butane-1,2-, -1,3-, -1,4-, and -2,3-Diol) at Different Temperatures
- Excess Molar Volume, Viscosity, and Heat Capacity for the Mixtures of 1,4-Butanediol + Water at Different Temperatures
- Density-Pressure Relationship in Hydrogen-Bonded Mixtures: 1,4-Butanediol + 1-Dodecanol
- Thermodynamic Properties of Mixtures Containing Ionic Liquids. Activity Coefficients of Ethers and Alcohols in 1-Methyl-3-Ethyl-Imidazolium Bis(trifluoromethyl-sulfonyl) Imide Using the Transpiration Method
- Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
- Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
- Miscibility Phenomena in Systems Containing Polyhydroxy Alcohols and Ionic Liquids
- Partial Molar Isentropic Compressions and Partial Molar Volumes of Isomeric Butanediols at Infinite Dilution in Water at Temperatures T = (278 to 318) K and Atmospheric Pressure
- Solubilities of Carbon Dioxide in Eutectic Mixtures of Choline Chloride and Dihydric Alcohols
- Isobaric Vapor-Liquid Equilibrium for Four Binary Systems of Ethane-1,2-diol, Butane-1,4-diol, 2-(2- Hydroxyethoxy)ethan-1-ol and 2-[2-(2- Hydroxyethoxy)ethoxy]ethanol at 10.0 kPa, 20.0 kPa and 40.0 kPa
- Densities and Excess Molar Volumes for Binary Mixtures of 1,4-Butanediol + 1,2-Propanediol, + 1,3-Propanediol, and + Ethane-1,2-diol from (293.15 to 328.15) K
- Refractive Indices and Deviations in Refractive Indices for Binary Mixtures of Formamide + 1-Butanol, + 2-Butanol, + 1,3-Butanediol, and + 1,4-Butanediol at Temperatures from (293.15 to 318.15) K
- Heat Capacities of Some Liquid alpha,omega-Alkanediols within the Temperature Range between (293.15 and 353.15) K
- Experimental and Theoretical Study of the Phase Equilibria in Ternary Aqueous Mixtures of 1,4-Butanediol with Alcohols at 298.2 K
- Liquid-Liquid Coexistence Curves of {x 1-Butyl-3-methylimidazolium Tetrafluoroborate + (1 - x) 1,3-Propanediol} and {x 1-Butyl-3-methylimidazolium Tetrafluoroborate + (1 - x) 1,4-Butanediol}
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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