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_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).
• 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
ΔfG°	-827.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1134.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.62	kJ/mol	Joback Calculated Property
ΔvapH°	108.87	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	8386.00	kPa	Joback Calculated Property
Tboil	519.42	K	Relay (1.0) Calculated Property
Tc	831.49	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	0.347	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.68; 274.96]	J/mol×K	[766.50; 945.33]
Cp,gas	254.68	J/mol×K	766.50	Joback Calculated Property
Cp,gas	258.69	J/mol×K	796.30	Joback Calculated Property
Cp,gas	262.44	J/mol×K	826.11	Joback Calculated Property
Cp,gas	265.93	J/mol×K	855.91	Joback Calculated Property
Cp,gas	269.18	J/mol×K	885.72	Joback Calculated Property
Cp,gas	272.19	J/mol×K	915.52	Joback Calculated Property
Cp,gas	274.96	J/mol×K	945.33	Joback Calculated Property
η	[0.0000007; 0.0013755]	Pa×s	[447.98; 766.50]
η	0.0013755	Pa×s	447.98	Joback Calculated Property
η	0.0002009	Pa×s	501.07	Joback Calculated Property
η	0.0000424	Pa×s	554.15	Joback Calculated Property
η	0.0000118	Pa×s	607.24	Joback Calculated Property
η	0.0000040	Pa×s	660.33	Joback Calculated Property
η	0.0000016	Pa×s	713.41	Joback Calculated Property
η	0.0000007	Pa×s	766.50	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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