Chemical Properties of meso-2,3-butanediol (CAS 5341-95-7)

InChI

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

InChI Key

OWBTYPJTUOEWEK-ZXZARUISSA-N

Formula

C4H10O2

SMILES

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

Molecular Weight¹

90.12

CAS

5341-95-7

Other Names

• (R*,S*)-2,3-butanediol
• (R*,S*)-butanediol
• (R,S)-Butan-2,3-diol
• 2,3-Butanediol (erythro-)
• 2,3-butanediol (erythro)
• 2,3-butanediol (meso)
• erythro-2,3-Butanediol
• meso-butane-2,3-diol
• 2,3-Butanediol, (R,S)

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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	0.6142		Relay (1.0) Calculated Property
ΔfG°	-295.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-468.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.25	kJ/mol	Joback Calculated Property
ΔvapH°	66.60 ± 0.40	kJ/mol	NIST
IE	10.37	eV	Relay (1.0) Calculated Property
log10WS	0.32		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; 807.00]
Inp	784.00		NIST
Inp	756.00		NIST
Inp	807.00		NIST
Inp	759.00		NIST
Inp	750.00		NIST
Inp	785.00		NIST
Inp	743.00		NIST
Inp	768.00		NIST
Inp	759.00		NIST
Inp	756.00		NIST
Inp	759.00		NIST
Inp	785.00		NIST
Inp	807.00		NIST
Ip	[1525.00; 1606.00]
Ip	1580.00		NIST
Ip	1582.00		NIST
Ip	1546.00		NIST
Ip	1606.00		NIST
Ip	1567.00		NIST
Ip	1532.00		NIST
Ip	1587.00		NIST
Ip	1537.00		NIST
Ip	1538.00		NIST
Ip	1576.00		NIST
Ip	1591.00		NIST
Ip	1525.00		NIST
Ip	1538.00		NIST
Ip	1537.00		NIST
Ip	1570.00		NIST
Ip	1580.00		NIST
Ip	1537.00		NIST
Ip	1582.00		NIST
Ip	1587.00		NIST
Ip	1525.00		NIST
Tboil	[456.70; 457.00]	K
Tboil	456.70	K	NIST
Tboil	457.00 ± 4.00	K	NIST
Tc	596.76	K	Relay (1.0) Calculated Property
Tfus	[306.15; 308.15]	K
Tfus	306.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	306.65 ± 1.50	K	NIST
Tfus	308.15 ± 4.00	K	NIST
Tfus	307.65 ± 0.20	K	NIST
Tfus	307.55 ± 1.00	K	NIST
Vc	0.325	m3/kmol	Relay (1.0) Calculated Property

Temperature 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	[0.0149639; 0.0002050]	Pa×s	[307.23; 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.			307.23
Temperature range, max.			447.67
η	0.0149639	Pa×s	307.23	Calculated Property
η	0.0077259	Pa×s	322.83	Calculated Property
η	0.0042396	Pa×s	338.44	Calculated Property
η	0.0024529	Pa×s	354.04	Calculated Property
η	0.0014863	Pa×s	369.65	Calculated Property
η	0.0009379	Pa×s	385.25	Calculated Property
η	0.0006134	Pa×s	400.85	Calculated Property
η	0.0004142	Pa×s	416.46	Calculated Property
η	0.0002877	Pa×s	432.06	Calculated Property
η	0.0002050	Pa×s	447.67	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[348.60; 498.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47795e+01
Coefficient B			-4.08372e+03
Coefficient C			-6.68060e+01
Temperature range, min.			348.60
Temperature range, max.			498.12
Pvap	1.33	kPa	348.60	Calculated Property
Pvap	2.99	kPa	365.21	Calculated Property
Pvap	6.15	kPa	381.83	Calculated Property
Pvap	11.77	kPa	398.44	Calculated Property
Pvap	21.18	kPa	415.05	Calculated Property
Pvap	36.12	kPa	431.67	Calculated Property
Pvap	58.81	kPa	448.28	Calculated Property
Pvap	91.94	kPa	464.89	Calculated Property
Pvap	138.67	kPa	481.51	Calculated Property
Pvap	202.63	kPa	498.12	Calculated Property

Similar Compounds

Find more compounds similar to meso-2,3-butanediol.

Mixtures

• meso-2,3-butanediol + Water
• meso-2,3-butanediol + Dimethyl Sulfoxide + 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 data for the separation of 2,3-butanediol from aqueous streams using tetraoctyl ammonium 2-methyl-1-naphthoate
• 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
• The Yaws Handbook of Vapor Pressure

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