Chemical Properties of 2,3-Butanediol, [S-(R*,R*)]- (CAS 19132-06-0)

InChI

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1

InChI Key

OWBTYPJTUOEWEK-IMJSIDKUSA-N

Formula

C4H10O2

SMILES

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

Molecular Weight¹

90.12

CAS

19132-06-0

Other Names

• (2S,3S)-(+)-2,3-Butanediol
• [S,S]-2,3-butanediol

• 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_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	0.6129		Relay (1.0) Calculated Property
ΔfG°	-295.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.25	kJ/mol	Joback Calculated Property
ΔvapH°	63.20 ± 0.70	kJ/mol	NIST
IE	10.39	eV	Relay (1.0) Calculated Property
log10WS	-0.29		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
Ip	[1548.00; 1584.00]
Ip	1548.00		NIST
Ip	1581.00		NIST
Ip	1584.00		NIST
Tboil	[450.00; 452.70]	K
Tboil	452.70	K	NIST
Tboil	450.00 ± 2.00	K	NIST
Tc	575.26	K	Relay (1.0) Calculated Property
Tfus	293.15 ± 4.00	K	NIST
Vc	0.318	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	[0.0288623; 0.0002050]	Pa×s	[293.15; 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.			293.15
Temperature range, max.			447.67
η	0.0288623	Pa×s	293.15	Calculated Property
η	0.0130595	Pa×s	310.32	Calculated Property
η	0.0064215	Pa×s	327.49	Calculated Property
η	0.0033889	Pa×s	344.66	Calculated Property
η	0.0019003	Pa×s	361.82	Calculated Property
η	0.0011229	Pa×s	378.99	Calculated Property
η	0.0006945	Pa×s	396.16	Calculated Property
η	0.0004470	Pa×s	413.33	Calculated Property
η	0.0002980	Pa×s	430.50	Calculated Property
η	0.0002050	Pa×s	447.67	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[349.08; 476.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64088e+01
Coefficient B			-4.54791e+03
Coefficient C			-6.69730e+01
Temperature range, min.			349.08
Temperature range, max.			476.79
Pvap	1.33	kPa	349.08	Calculated Property
Pvap	2.89	kPa	363.27	Calculated Property
Pvap	5.82	kPa	377.46	Calculated Property
Pvap	11.04	kPa	391.65	Calculated Property
Pvap	19.84	kPa	405.84	Calculated Property
Pvap	34.03	kPa	420.03	Calculated Property
Pvap	55.98	kPa	434.22	Calculated Property
Pvap	88.74	kPa	448.41	Calculated Property
Pvap	136.10	kPa	462.60	Calculated Property
Pvap	202.63	kPa	476.79	Calculated Property

Similar Compounds

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

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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