Chemical Properties of DL-2,3-Butanediol (CAS 6982-25-8)

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

6982-25-8

Other Names

• 2,3-Butanediol (DL)
• 2,3-Butanediol, (R*,R*)-(.+/-.)-
• DL-2,3-Butandiol
• 2,3-Butanediol, rac

• 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).
• 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	0.6227		Relay (1.0) Calculated Property
ΔfG°	-295.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-475.66	kJ/mol	Relay (1.0) Calculated Property
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	[747.00; 793.00]
Inp	Outlier 747.00		NIST
Inp	770.00		NIST
Inp	780.00		NIST
Inp	793.00		NIST
Inp	773.00		NIST
Inp	784.00		NIST
Inp	784.00		NIST
Ip	[1572.00; 1620.00]
Ip	1620.00		NIST
Ip	1620.00		NIST
Ip	1572.00		NIST
Tboil	455.65 ± 0.70	K	NIST
Tc	597.02	K	Relay (1.0) Calculated Property
Tfus	[279.65; 280.75]	K
Tfus	279.65 ± 1.50	K	NIST
Tfus	280.75 ± 1.50	K	NIST
Vc	0.301	m3/kmol	Relay (1.0) Calculated Property

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	[0.0559800; 0.0002050]	Pa×s	[280.20; 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.			280.20
Temperature range, max.			447.67
η	0.0559800	Pa×s	280.20	Calculated Property
η	0.0220024	Pa×s	298.81	Calculated Property
η	0.0096484	Pa×s	317.41	Calculated Property
η	0.0046355	Pa×s	336.02	Calculated Property
η	0.0024051	Pa×s	354.63	Calculated Property
η	0.0013323	Pa×s	373.24	Calculated Property
η	0.0007806	Pa×s	391.84	Calculated Property
η	0.0004801	Pa×s	410.45	Calculated Property
η	0.0003080	Pa×s	429.06	Calculated Property
η	0.0002050	Pa×s	447.67	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[350.08; 480.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62156e+01
Coefficient B			-4.50380e+03
Coefficient C			-6.73200e+01
Temperature range, min.			350.08
Temperature range, max.			480.36
Pvap	1.33	kPa	350.08	Calculated Property
Pvap	2.90	kPa	364.56	Calculated Property
Pvap	5.85	kPa	379.03	Calculated Property
Pvap	11.11	kPa	393.51	Calculated Property
Pvap	19.98	kPa	407.98	Calculated Property
Pvap	34.25	kPa	422.46	Calculated Property
Pvap	56.29	kPa	436.93	Calculated Property
Pvap	89.09	kPa	451.41	Calculated Property
Pvap	136.40	kPa	465.88	Calculated Property
Pvap	202.67	kPa	480.36	Calculated Property

Similar Compounds

Find more compounds similar to DL-2,3-Butanediol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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