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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.95; 285.67]	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			1.56700e+01
Coefficient B			5.65200e-01
Coefficient C			-4.06200e-04
Coefficient D			1.11000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.95	J/mol×K	273.00	Calculated Property
Cp,gas	169.70	J/mol×K	353.78	Calculated Property
Cp,gas	193.68	J/mol×K	434.56	Calculated Property
Cp,gas	214.25	J/mol×K	515.33	Calculated Property
Cp,gas	231.76	J/mol×K	596.11	Calculated Property
Cp,gas	246.56	J/mol×K	676.89	Calculated Property
Cp,gas	259.00	J/mol×K	757.67	Calculated Property
Cp,gas	269.43	J/mol×K	838.44	Calculated Property
Cp,gas	278.20	J/mol×K	919.22	Calculated Property
Cp,gas	285.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021536; 0.0000260]	Pa×s	[443.36; 673.05]	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			-1.90868e+01
Coefficient B			5.73978e+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.			443.36
Temperature range, max.			673.05
η	0.0021536	Pa×s	443.36	Calculated Property
η	0.0010645	Pa×s	468.88	Calculated Property
η	0.0005658	Pa×s	494.40	Calculated Property
η	0.0003200	Pa×s	519.92	Calculated Property
η	0.0001909	Pa×s	545.44	Calculated Property
η	0.0001193	Pa×s	570.97	Calculated Property
η	0.0000776	Pa×s	596.49	Calculated Property
η	0.0000523	Pa×s	622.01	Calculated Property
η	0.0000363	Pa×s	647.53	Calculated Property
η	0.0000260	Pa×s	673.05	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.