Chemical Properties of Butanedioic acid, 2,3-dihydroxy-, [S-(R*,R*)]- (CAS 147-71-7)

InChI

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

InChI Key

FEWJPZIEWOKRBE-JCYAYHJZSA-N

Formula

C4H6O6

SMILES

O=C(O)C(O)C(O)C(=O)O

Molecular Weight¹

150.09

CAS

147-71-7

Other Names

• (+)-L-tartaric acid
• (-)-tartaric acid
• (2R,3R)-2,3-dihydroxybutanedioic acid
• D-Tartaric acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.9469		Relay (1.0) Calculated Property
ΔcH°solid	[-1175.00; -1151.00]	kJ/mol
ΔcH°solid	-1175.00	kJ/mol	NIST
ΔcH°solid	-1151.00 ± 0.20	kJ/mol	NIST
ΔfH°gas	-1134.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.53	kJ/mol	Joback Calculated Property
ΔvapH°	107.36	kJ/mol	Relay (1.0) Calculated Property
IE	10.91	eV	Relay (1.0) Calculated Property
log10WS	0.21		Relay (1.0) Calculated Property
logPoct/wat	-2.123		Crippen Calculated Property
McVol	93.840	ml/mol	McGowan Calculated Property
Pc	6674.78	kPa	Joback Calculated Property
Tboil	519.42	K	Relay (1.0) Calculated Property
Tc	827.12	K	Relay (1.0) Calculated Property
Tfus	[442.72; 444.00]	K
Tfus	442.72	K	Research on the application of 7-chloro-quinaldine adducts in 7-chloro-quinaldine separation process
Tfus	444.00	K	A Novel Co-crystal of (R,R)-1,2-Cyclohexanediol with (R,R)-Tartaric Acid, a Key Structure for Resolution of the Racemic (+-)-trans-Diol in Supercritical Carbon Dioxide, and the Binary Melting Phase Relations.
Tfus	443.35	K	Solid Liquid Equilibrium of d- and l-Tartaric Acid and Their Importance for Enantioseparation
Vc	0.353	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.11; 282.25]	J/mol×K	[765.62; 961.51]
Cp,gas	260.11	J/mol×K	765.62	Joback Calculated Property
Cp,gas	264.47	J/mol×K	798.27	Joback Calculated Property
Cp,gas	268.53	J/mol×K	830.92	Joback Calculated Property
Cp,gas	272.32	J/mol×K	863.56	Joback Calculated Property
Cp,gas	275.85	J/mol×K	896.21	Joback Calculated Property
Cp,gas	279.16	J/mol×K	928.86	Joback Calculated Property
Cp,gas	282.25	J/mol×K	961.51	Joback Calculated Property
η	[0.0000093; 0.0001829]	Pa×s	[547.68; 765.62]
η	0.0001829	Pa×s	547.68	Joback Calculated Property
η	0.0000953	Pa×s	584.00	Joback Calculated Property
η	0.0000536	Pa×s	620.33	Joback Calculated Property
η	0.0000321	Pa×s	656.65	Joback Calculated Property
η	0.0000203	Pa×s	692.97	Joback Calculated Property
η	0.0000135	Pa×s	729.30	Joback Calculated Property
η	0.0000093	Pa×s	765.62	Joback Calculated Property

Similar Compounds

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

Mixtures

• Butanedioic acid, 2,3-dihydroxy-, [S-(R*,R*)]- + (R,R)-Tartaric acid + Water
• Butanedioic acid, 2,3-dihydroxy-, [S-(R*,R*)]- + (R,R)-Tartaric acid
• Butanedioic acid, 2,3-dihydroxy-, [S-(R*,R*)]- + Heptane + Water
• Butanedioic acid, 2,3-dihydroxy-, [S-(R*,R*)]- + 1-Octanol + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Research on the application of 7-chloro-quinaldine adducts in 7-chloro-quinaldine separation process
• A Novel Co-crystal of (R,R)-1,2-Cyclohexanediol with (R,R)-Tartaric Acid, a Key Structure for Resolution of the Racemic (+-)-trans-Diol in Supercritical Carbon Dioxide, and the Binary Melting Phase Relations.
• L(+)-tartaric Acid Separations Using Aliquat 336 in n-Heptane, Kerosene, and 1-Octanol at 300 +- 1 K
• Solid Liquid Equilibrium of d- and l-Tartaric Acid and Their Importance for Enantioseparation
• Joback Method
• McGowan Method
• NIST Webbook

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