Chemical Properties of Butanedioic acid, 2,3-dihydroxy-, dibutyl ester (CAS 344268-32-2)

InChI

InChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3

InChI Key

PCYQQSKDZQTOQG-UHFFFAOYSA-N

Formula

C12H22O6

SMILES

CCCCOC(=O)C(O)C(O)C(=O)OCCCC

Molecular Weight¹

262.30

CAS

344268-32-2

• ω : Acentric Factor.
• 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

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	[317.10; 693.06]	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			5.00160e+01
Coefficient B			1.11404e+00
Coefficient C			-5.07000e-04
Coefficient D			3.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.10	J/mol×K	273.00	Calculated Property
Cp,gas	382.28	J/mol×K	353.78	Calculated Property
Cp,gas	441.34	J/mol×K	434.56	Calculated Property
Cp,gas	494.40	J/mol×K	515.33	Calculated Property
Cp,gas	541.57	J/mol×K	596.11	Calculated Property
Cp,gas	582.97	J/mol×K	676.89	Calculated Property
Cp,gas	618.70	J/mol×K	757.67	Calculated Property
Cp,gas	648.88	J/mol×K	838.44	Calculated Property
Cp,gas	673.63	J/mol×K	919.22	Calculated Property
Cp,gas	693.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035302; 0.0000119]	Pa×s	[401.30; 666.70]	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			-1.99365e+01
Coefficient B			5.73462e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			401.30
Temperature range, max.			666.70
η	0.0035302	Pa×s	401.30	Calculated Property
η	0.0013273	Pa×s	430.79	Calculated Property
η	0.0005657	Pa×s	460.28	Calculated Property
η	0.0002672	Pa×s	489.77	Calculated Property
η	0.0001374	Pa×s	519.25	Calculated Property
η	0.0000759	Pa×s	548.74	Calculated Property
η	0.0000445	Pa×s	578.23	Calculated Property
η	0.0000275	Pa×s	607.72	Calculated Property
η	0.0000178	Pa×s	637.21	Calculated Property
η	0.0000119	Pa×s	666.70	Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, 2,3-dihydroxy-, dibutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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