Chemical Properties of Diethyleneglycol di-isobutyrate (CAS 76343-97-0)

InChI

InChI=1S/C12H22O5/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4/h9-10H,5-8H2,1-4H3

InChI Key

MNBUMRSEKNGNCN-UHFFFAOYSA-N

Formula

C12H22O5

SMILES

CC(C)C(=O)OCCOCCOC(=O)C(C)C

Molecular Weight¹

246.30

CAS

76343-97-0

• 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).
• 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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.50; 674.21]	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			6.49340e+01
Coefficient B			9.82880e-01
Coefficient C			-3.35200e-04
Coefficient D			-3.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.50	J/mol×K	273.00	Calculated Property
Cp,gas	369.00	J/mol×K	353.78	Calculated Property
Cp,gas	425.60	J/mol×K	434.56	Calculated Property
Cp,gas	477.17	J/mol×K	515.33	Calculated Property
Cp,gas	523.59	J/mol×K	596.11	Calculated Property
Cp,gas	564.74	J/mol×K	676.89	Calculated Property
Cp,gas	600.50	J/mol×K	757.67	Calculated Property
Cp,gas	630.75	J/mol×K	838.44	Calculated Property
Cp,gas	655.36	J/mol×K	919.22	Calculated Property
Cp,gas	674.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049744; 0.0001311]	Pa×s	[301.89; 552.97]	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			-1.33114e+01
Coefficient B			2.41753e+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.			301.89
Temperature range, max.			552.97
η	0.0049744	Pa×s	301.89	Calculated Property
η	0.0025266	Pa×s	329.79	Calculated Property
η	0.0014264	Pa×s	357.69	Calculated Property
η	0.0008747	Pa×s	385.58	Calculated Property
η	0.0005730	Pa×s	413.48	Calculated Property
η	0.0003960	Pa×s	441.38	Calculated Property
η	0.0002859	Pa×s	469.28	Calculated Property
η	0.0002141	Pa×s	497.17	Calculated Property
η	0.0001654	Pa×s	525.07	Calculated Property
η	0.0001311	Pa×s	552.97	Calculated Property

Similar Compounds

Find more compounds similar to Diethyleneglycol di-isobutyrate.

Sources

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

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