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_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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-717.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1064.91	kJ/mol	Joback Calculated Property
ΔfusH°	21.31	kJ/mol	Joback Calculated Property
ΔvapH°	87.97	kJ/mol	Joback Calculated Property
log10WS	-0.71		Crippen Calculated Property
logPoct/wat	-0.389		Crippen Calculated Property
McVol	178.380	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Inp	[1385.20; 1385.20]
Inp	1385.20		NIST
Inp	1385.20		NIST
Tboil	763.38	K	Joback Calculated Property
Tc	946.82	K	Joback Calculated Property
Tfus	408.42	K	Joback Calculated Property
Vc	0.657	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[526.34; 578.84]	J/mol×K	[763.38; 946.82]
Cp,gas	526.34	J/mol×K	763.38	Joback Calculated Property
Cp,gas	536.68	J/mol×K	793.95	Joback Calculated Property
Cp,gas	546.38	J/mol×K	824.53	Joback Calculated Property
Cp,gas	555.45	J/mol×K	855.10	Joback Calculated Property
Cp,gas	563.88	J/mol×K	885.67	Joback Calculated Property
Cp,gas	571.68	J/mol×K	916.24	Joback Calculated Property
Cp,gas	578.84	J/mol×K	946.82	Joback Calculated Property
η	[0.0000053; 0.0030290]	Pa×s	[408.42; 763.38]
η	0.0030290	Pa×s	408.42	Joback Calculated Property
η	0.0005379	Pa×s	467.58	Joback Calculated Property
η	0.0001408	Pa×s	526.74	Joback Calculated Property
η	0.0000483	Pa×s	585.90	Joback Calculated Property
η	0.0000202	Pa×s	645.06	Joback Calculated Property
η	0.0000098	Pa×s	704.22	Joback Calculated Property
η	0.0000053	Pa×s	763.38	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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