Chemical Properties of 2,3-Butanediol, [R-(R*,R*)]- (CAS 24347-58-8)

InChI

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1

InChI Key

OWBTYPJTUOEWEK-QWWZWVQMSA-N

Formula

C4H10O2

SMILES

C[C@@H](O)[C@@H](C)O

Molecular Weight¹

90.12

CAS

24347-58-8

Other Names

• (2R,3R)-2,3-butanediol
• (2R,3R)-butane-2,3-diol
• (R,R)-(-)-butane-2,3-diol
• D-2,3-butanediol
• [R,R]-2,3-butanediol
• [R-(R*,R*)]-2,3-butanediol
• levo-butane-2,3-diol
• 2,3-Butanediol, (R,R)

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6129		Relay (1.0) Calculated Property
ΔfG°	-295.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-468.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.25	kJ/mol	Joback Calculated Property
ΔvapH°	63.27	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	0.40		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	[743.00; 804.00]
Inp	743.00		NIST
Inp	804.00		NIST
Inp	749.00		NIST
Ip	[1530.00; 1573.00]
Ip	1530.00		NIST
Ip	1544.00		NIST
Ip	1547.00		NIST
Ip	1565.00		NIST
Ip	1573.00		NIST
Tboil	450.09	K	Relay (1.0) Calculated Property
Tc	597.80	K	Relay (1.0) Calculated Property
Tfus	289.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

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	[0.0351922; 0.0002050]	Pa×s	[289.15; 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.			289.15
Temperature range, max.			447.67
η	0.0351922	Pa×s	289.15	Calculated Property
η	0.0152787	Pa×s	306.76	Calculated Property
η	0.0072624	Pa×s	324.38	Calculated Property
η	0.0037269	Pa×s	341.99	Calculated Property
η	0.0020417	Pa×s	359.60	Calculated Property
η	0.0011832	Pa×s	377.22	Calculated Property
η	0.0007198	Pa×s	394.83	Calculated Property
η	0.0004569	Pa×s	412.44	Calculated Property
η	0.0003011	Pa×s	430.05	Calculated Property
η	0.0002050	Pa×s	447.67	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Butanediol, [R-(R*,R*)]-.

Mixtures

• 2,3-Butanediol, [R-(R*,R*)]- + Water
• 2,3-Butanediol, [R-(R*,R*)]- + Dimethyl Sulfoxide + Water
• 2,3-Butanediol, [R-(R*,R*)]- + 2-Pentanol, 4-methyl- + Water

Sources

• 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
• Liquid-Liquid Equilibrium Measurements for the Ternary System of Water/2,3-Butanediol/4-Methyl-2-pentanol at Various Temperatures
• Enthalpies of Dilution of 1,3-Propanediol and Isomers of 2,3-Butanediol in Dimethylsulfoxide + Water Mixtures at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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