Chemical Properties of 2,3-Butanediol (CAS 513-85-9)

InChI

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

InChI Key

OWBTYPJTUOEWEK-UHFFFAOYSA-N

Formula

C4H10O2

SMILES

CC(O)C(C)O

Molecular Weight¹

90.12

CAS

513-85-9

Other Names

• 2,3-Butandiol
• 2,3-Butanediol, isomer 1
• 2,3-Butanediol, isomer 2
• 2,3-Butylene glycol
• 2,3-Dihydroxybutane
• 2,3-butanediol, isomer not specified
• 2,3-butanodiol
• 2,3-butyleneglycol
• 2,3-butyleneglycol, isomer not specified
• 2.3-Butanediol, isomer 3
• Butane-2,3-diol
• D-2,3-Butane diol
• Dimethylethylene glycol
• butane, 2,3-dihydroxy-, isomer not specified

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6227		Relay (1.0) Calculated Property
ΔcH°liquid	-2461.00	kJ/mol	NIST
Cp,liquid	236.63	J/mol×K	Molar heat capacities for {isomer of butanediol + methanol} as function of mixture composition and temperature
ΔfG°	-295.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-475.66	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-544.80; -541.80]	kJ/mol
ΔfH°liquid	-544.80	kJ/mol	NIST
ΔfH°liquid	-541.80	kJ/mol	NIST
ΔfusH°	7.25	kJ/mol	Joback Calculated Property
ΔvapH°	70.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	0.39		Relay (1.0) Calculated Property
logPoct/wat	-0.252		Crippen Calculated Property
McVol	78.960	ml/mol	McGowan Calculated Property
Pc	5087.49	kPa	Joback Calculated Property
Inp	[746.00; 824.00]
Inp	789.00		NIST
Inp	819.00		NIST
Inp	789.00		NIST
Inp	773.00		NIST
Inp	Outlier 747.50		NIST
Inp	769.00		NIST
Inp	802.00		NIST
Inp	819.00		NIST
Inp	782.00		NIST
Inp	795.00		NIST
Inp	789.00		NIST
Inp	806.00		NIST
Inp	803.00		NIST
Inp	782.00		NIST
Inp	Outlier 824.00		NIST
Inp	783.00		NIST
Inp	779.00		NIST
Inp	780.00		NIST
Inp	790.00		NIST
Inp	756.00		NIST
Inp	779.00		NIST
Inp	782.00		NIST
Inp	768.00		NIST
Inp	Outlier 746.00		NIST
Inp	Outlier 750.00		NIST
Inp	767.00		NIST
Inp	787.00		NIST
Inp	792.00		NIST
Inp	788.00		NIST
Inp	793.00		NIST
Inp	793.00		NIST
Inp	800.00		NIST
Inp	806.00		NIST
Inp	782.00		NIST
Inp	778.00		NIST
Inp	784.00		NIST
Inp	793.00		NIST
Inp	786.00		NIST
Inp	782.00		NIST
Ip	[1492.00; 1590.00]
Ip	Outlier 1494.00		NIST
Ip	Outlier 1492.00		NIST
Ip	Outlier 1492.00		NIST
Ip	1522.00		NIST
Ip	1526.00		NIST
Ip	1580.00		NIST
Ip	1545.00		NIST
Ip	1570.00		NIST
Ip	1556.00		NIST
Ip	1542.00		NIST
Ip	1539.00		NIST
Ip	1543.00		NIST
Ip	1547.00		NIST
Ip	1543.00		NIST
Ip	1543.00		NIST
Ip	1541.00		NIST
Ip	1542.00		NIST
Ip	1583.00		NIST
Ip	1583.00		NIST
Ip	1579.00		NIST
Ip	1558.00		NIST
Ip	1562.00		NIST
Ip	1522.00		NIST
Ip	1541.00		NIST
Ip	1576.00		NIST
Ip	1554.00		NIST
Ip	1580.00		NIST
Ip	1542.00		NIST
Ip	1558.00		NIST
Ip	1523.00		NIST
Ip	1566.00		NIST
Ip	1539.00		NIST
Ip	1539.00		NIST
Ip	1526.00		NIST
Ip	1517.00		NIST
Ip	1512.00		NIST
Ip	1529.00		NIST
Ip	1536.00		NIST
Ip	1590.00		NIST
Ip	1563.00		NIST
Ip	1583.00		NIST
Ip	1553.00		NIST
Ip	1581.00		NIST
Ip	1524.00		NIST
Ip	1581.00		NIST
Ip	1550.00		NIST
Ip	1528.00		NIST
Ip	1577.00		NIST
Ip	1521.00		NIST
Ip	1583.00		NIST
Ip	1558.00		NIST
Ip	1554.00		NIST
Ip	1566.00		NIST
Ip	1512.00		NIST
Ip	1583.00		NIST
Ip	Outlier 1494.00		NIST
Ip	1580.00		NIST
Ip	1539.00		NIST
Ip	1541.00		NIST
Tboil	[415.15; 456.70]	K
Tboil	454.21	K	Vapor liquid equilibria for the binary mixtures of 2,3-butanediol with n-butanol, n-butyl acetate, and ethyl acetate at 101.3 kPa
Tboil	454.21	K	Liquid liquid equilibria of water + 2,3-butanediol + 1-butanol at T = 298.15 K, T = 308.15K and T = 318.15K
Tboil	454.21	K	Liquid liquid equilibria of water + 2,3-butanediol + ethyl acetate at several temperatures
Tboil	454.21	K	Liquid Liquid Equilibria of Water + 2,3-Butanediol + Butyl Acetate at T ) 298.15 K, T ) 308.15 K, and T ) 318.15 K
Tboil	456.70	K	NIST
Tboil	455.65 ± 1.00	K	NIST
Tboil	455.15 ± 4.00	K	NIST
Tboil	Outlier 415.15 ± 3.00	K	NIST
Tc	597.02	K	Relay (1.0) Calculated Property
Tfus	[292.15; 298.15]	K
Tfus	298.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	292.15 ± 2.00	K	NIST
Vc	0.301	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[213.00; 262.67]	J/mol×K	[298.15; 353.15]
Cp,liquid	236.67	J/mol×K	298.15	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
Cp,liquid	213.00	J/mol×K	298.20	NIST
Cp,liquid	239.28	J/mol×K	303.15	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
Cp,liquid	241.85	J/mol×K	308.15	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
Cp,liquid	244.35	J/mol×K	313.15	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
Cp,liquid	246.82	J/mol×K	318.15	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
Cp,liquid	249.23	J/mol×K	323.15	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
Cp,liquid	251.60	J/mol×K	328.15	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
Cp,liquid	253.91	J/mol×K	333.15	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
Cp,liquid	256.17	J/mol×K	338.15	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
Cp,liquid	258.39	J/mol×K	343.15	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
Cp,liquid	260.55	J/mol×K	348.15	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
Cp,liquid	262.67	J/mol×K	353.15	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
ΔvapH	[55.70; 62.50]	kJ/mol	[378.00; 402.50]
ΔvapH	57.90	kJ/mol	378.00	NIST
ΔvapH	55.70	kJ/mol	379.50	NIST
ΔvapH	58.40	kJ/mol	386.00	NIST
ΔvapH	62.50	kJ/mol	402.50	NIST
n0	[1.43480; 1.43660]		[298.15; 298.20]
n0	1.43660		298.15	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
n0	1.43480		298.20	Dielectric properties of binary mixtures of three butanediols with 1,4-dioxane and 2-ethyl-1-hexanol at T = 298.2 K
ρl	[990.72; 990.72]	kg/m3	[308.15; 308.15]
ρl	990.72	kg/m3	308.15	Effect of placement of hydroxyl groups in isomeric butanediol on the behaviour of thermophysical and spectroscopic properties of pyrrolidin-2-one
ρl	990.72	kg/m3	308.15	A comparative study of thermophysical and spectroscopic properties in mixtures of isomeric butanediol and N,N-dimethylformamide
ρl	990.72	kg/m3	308.15	Thermodynamic, transport, and spectroscopic studies for mixtures of isomeric butanediol and N-methyl-2-pyrrolidinone
ρl	990.72	kg/m3	308.15	Effect of B-cyclodextrin on the behaviour of thermophysical and spectroscopic properties of binary mixtures of (isomeric butanediol + pyrrolidin-2-one)

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.71; 264.11]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.47000e+00
Coefficient B			4.63640e-01
Coefficient C			-2.61000e-04
Coefficient D			5.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.71	J/mol×K	273.00	Calculated Property
Cp,gas	140.26	J/mol×K	353.78	Calculated Property
Cp,gas	163.17	J/mol×K	434.56	Calculated Property
Cp,gas	183.61	J/mol×K	515.33	Calculated Property
Cp,gas	201.76	J/mol×K	596.11	Calculated Property
Cp,gas	217.78	J/mol×K	676.89	Calculated Property
Cp,gas	231.85	J/mol×K	757.67	Calculated Property
Cp,gas	244.14	J/mol×K	838.44	Calculated Property
Cp,gas	254.84	J/mol×K	919.22	Calculated Property
Cp,gas	264.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0261908; 0.0002050]	Pa×s	[295.15; 447.67]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.78788e+01
Coefficient B			4.20190e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			295.15
Temperature range, max.			447.67
η	0.0261908	Pa×s	295.15	Calculated Property
η	0.0120901	Pa×s	312.10	Calculated Property
η	0.0060436	Pa×s	329.04	Calculated Property
η	0.0032334	Pa×s	345.99	Calculated Property
η	0.0018339	Pa×s	362.94	Calculated Property
η	0.0010942	Pa×s	379.88	Calculated Property
η	0.0006822	Pa×s	396.83	Calculated Property
η	0.0004422	Pa×s	413.77	Calculated Property
η	0.0002965	Pa×s	430.72	Calculated Property
η	0.0002050	Pa×s	447.67	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[351.12; 481.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62445e+01
Coefficient B			-4.52281e+03
Coefficient C			-6.76820e+01
Temperature range, min.			351.12
Temperature range, max.			481.36
Pvap	1.33	kPa	351.12	Calculated Property
Pvap	2.89	kPa	365.59	Calculated Property
Pvap	5.85	kPa	380.06	Calculated Property
Pvap	11.10	kPa	394.53	Calculated Property
Pvap	19.96	kPa	409.00	Calculated Property
Pvap	34.21	kPa	423.48	Calculated Property
Pvap	56.23	kPa	437.95	Calculated Property
Pvap	89.02	kPa	452.42	Calculated Property
Pvap	136.33	kPa	466.89	Calculated Property
Pvap	202.63	kPa	481.36	Calculated Property
Pvap	[5.07e-03; 5358.29]	kPa	[280.75; 611.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.37891e+02
Coefficient B			-1.22864e+04
Coefficient C			-1.78282e+01
Coefficient D			1.38579e-05
Coefficient E			0.00000e+00
Temperature range, min.			280.75
Temperature range, max.			611.00
Pvap	5.07e-03	kPa	280.75	Calculated Property
Pvap	0.12	kPa	317.44	Calculated Property
Pvap	1.34	kPa	354.14	Calculated Property
Pvap	8.74	kPa	390.83	Calculated Property
Pvap	39.74	kPa	427.53	Calculated Property
Pvap	139.69	kPa	464.22	Calculated Property
Pvap	408.58	kPa	500.92	Calculated Property
Pvap	1047.90	kPa	537.61	Calculated Property
Pvap	2448.03	kPa	574.31	Calculated Property
Pvap	5358.29	kPa	611.00	Calculated Property
Pvap	[0.13; 98.87]	kPa	[317.00; 455.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.85920e+01
Coefficient B			-6.02528e+03
Coefficient C			-2.45650e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			317.00
Temperature range, max.			455.00
Pvap	0.13	kPa	317.00	Calculated Property
Pvap	0.37	kPa	332.33	Calculated Property
Pvap	0.95	kPa	347.67	Calculated Property
Pvap	2.20	kPa	363.00	Calculated Property
Pvap	4.76	kPa	378.33	Calculated Property
Pvap	9.66	kPa	393.67	Calculated Property
Pvap	18.52	kPa	409.00	Calculated Property
Pvap	33.79	kPa	424.33	Calculated Property
Pvap	58.96	kPa	439.67	Calculated Property
Pvap	98.87	kPa	455.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Butanediol.

Mixtures

• 1-Butanol + 2,3-Butanediol + Water
• Glucose + 2,3-Butanediol + Water
• 1-Butanol + 2,3-Butanediol
• Acetic acid, butyl ester + 2,3-Butanediol
• Ethyl Acetate + 2,3-Butanediol
• 1-Propanol, 2-methyl- + 2,3-Butanediol + Water
• 2-Pyrrolidinone, 1-methyl- + 2,3-Butanediol
• 2,3-Butanediol + Water
• 2,3-Butanediol + Methyl Alcohol
• 2,3-Butanediol + 1-Hexanol, 2-ethyl- + Water
• Ethyl Acetate + 2,3-Butanediol + Water
• 2,3-Butanediol + Glycine + Water
• L-Asparagine + 2,3-Butanediol + Water
• 9-Octadecen-1-ol, (Z)- + 2,3-Butanediol + Water
• 2-Pyrrolidinone + 2,3-Butanediol
• Sodium bromide + 2,3-Butanediol + Water
• 2,3-Butanediol + Water + Ammonium bromide
• Tetraethylammonium bromide + 2,3-Butanediol + Water
• Formamide, N,N-dimethyl- + 2,3-Butanediol
• 2,3-Butanediol + 1,4-Dioxane

Find more mixtures with 2,3-Butanediol.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isopiestic determination of osmotic and activity coefficients of aqueous solutions of aliphatic polyols at 298.15K
• Liquid liquid equilibria of (water + 2,3-butanediol + 2-ethyl-1-hexanol) at several temperatures
• Vapor liquid equilibria for the binary mixtures of 2,3-butanediol with n-butanol, n-butyl acetate, and ethyl acetate at 101.3 kPa
• Liquid liquid equilibria of water + 2,3-butanediol + 1-butanol at T = 298.15 K, T = 308.15K and T = 318.15K
• Liquid liquid equilibria of water + 2,3-butanediol + ethyl acetate at several temperatures
• Osmotic coefficient data and an excess Gibbs energy function for single-phase complex system of glucose + alcohol +water
• Liquid phase behavior of hexafluorophosphate ionic liquids with polyhydric alcohols
• Liquid-liquid equilibria of water + 2,3-butanediol + isobutanol at several temperatures
• Phase behavior of imidazolium and phosphonium tetrafluoroborates with dihydroxy alcohols
• tert-Butyl chloride as a probe of the solvophobic effects
• Effect of placement of hydroxyl groups in isomeric butanediol on the behaviour of thermophysical and spectroscopic properties of pyrrolidin-2-one
• 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
• (Liquid + liquid) phase equilibria for (water + 2,3-butanediol + oleyl alcohol) at T = (300.2, 307.2, and 314.2) K
• Thermodynamic, transport, and spectroscopic studies for mixtures of isomeric butanediol and N-methyl-2-pyrrolidinone
• 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
• Effect of hydrophilic additives on volumetric and viscosity properties of amino acids in aqueous solutions at T = (283.15 to 333.15) K
• Effect of B-cyclodextrin on the behaviour of thermophysical and spectroscopic properties of binary mixtures of (isomeric butanediol + pyrrolidin-2-one)
• Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
• Molar heat capacities for {isomer of butanediol + methanol} as function of mixture composition and temperature
• Enthalpies of dilution of aqueous solutions of n-butanol, butanediols, 1,2,4-butanetriol, and 1,2,3,4-butanetetrol at 298.15K
• Liquid Liquid Equilibria for the Ternary Systems of Water + Butane-2,3-diol + 2-Methylbutan-1-ol, 2-Ethylbutan-1-ol, and 4-Methylpentan-2-ol at 298.15 and 308.15 K
• 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
• Densities, partial molar volumes at infinite dilution, side chain partial molar volumes and transfer volumes of dipeptides in sucrose and 2,3- butanediol aqueous solutions at T = (283.15 - 333.15) K
• 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
• Liquid Liquid Equilibria of Water + 2,3-Butanediol + Butyl Acetate at T ) 298.15 K, T ) 308.15 K, and T ) 318.15 K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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