Chemical Properties of Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]- (CAS 62961-64-2)

InChI

InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m1/s1

InChI Key

XEBCWEDRGPSHQH-HTQZYQBOSA-N

Formula

C10H18O6

SMILES

CC(C)OC(=O)C(O)C(O)C(=O)OC(C)C

Molecular Weight¹

234.25

CAS

62961-64-2

Other Names

• Diisopropyl d-tartrate
• diisopropyl [S-(R*,R*)]-tartrate
• (d) diisopropyl tartrate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1240.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.48	kJ/mol	Joback Calculated Property
ΔvapH°	81.83	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-0.91		Relay (1.0) Calculated Property
logPoct/wat	-0.389		Crippen Calculated Property
McVol	178.380	ml/mol	McGowan Calculated Property
Pc	2624.46	kPa	Joback Calculated Property
Inp	[1385.20; 1385.20]
Inp	1385.20		NIST
Inp	1385.20		NIST
Tboil	515.87	K	Relay (1.0) Calculated Property
Tc	720.72	K	Relay (1.0) Calculated Property
Tfus	334.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.48; 572.49]	J/mol×K	[727.44; 905.53]
Cp,gas	519.48	J/mol×K	727.44	Joback Calculated Property
Cp,gas	529.98	J/mol×K	757.12	Joback Calculated Property
Cp,gas	539.81	J/mol×K	786.80	Joback Calculated Property
Cp,gas	548.97	J/mol×K	816.49	Joback Calculated Property
Cp,gas	557.47	J/mol×K	846.17	Joback Calculated Property
Cp,gas	565.31	J/mol×K	875.85	Joback Calculated Property
Cp,gas	572.49	J/mol×K	905.53	Joback Calculated Property
η	[0.0000051; 0.0223747]	Pa×s	[348.76; 727.44]
η	0.0223747	Pa×s	348.76	Joback Calculated Property
η	0.0018923	Pa×s	411.87	Joback Calculated Property
η	0.0003086	Pa×s	474.99	Joback Calculated Property
η	0.0000770	Pa×s	538.10	Joback Calculated Property
η	0.0000257	Pa×s	601.21	Joback Calculated Property
η	0.0000106	Pa×s	664.33	Joback Calculated Property
η	0.0000051	Pa×s	727.44	Joback Calculated Property
ΔvapH	65.70	kJ/mol	462.00	NIST

Similar Compounds

Find more compounds similar to Butanedioic acid, 2,3-dihydroxy-, bis(1-methylethyl) ester, [S-(R*,R*)]-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.
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