Chemical Properties of 1,3-Propanediol diisobutyrate, 2,2-dimethyl

InChI

InChI=1S/C13H24O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h9-10H,7-8H2,1-6H3

InChI Key

HACYJIJMLQDPDS-UHFFFAOYSA-N

Formula

C13H24O4

SMILES

CC(C)C(=O)OCC(C)(C)COC(=O)C(C)C

Molecular Weight¹

244.33

Other Names

• 2,2-dimethylpropane-1,3-diyl bisisobutyrate

• 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	[311.85; 708.77]	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			1.40520e+01
Coefficient B			1.26692e+00
Coefficient C			-6.72400e-04
Coefficient D			1.00200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.85	J/mol×K	273.00	Calculated Property
Cp,gas	382.54	J/mol×K	353.78	Calculated Property
Cp,gas	445.85	J/mol×K	434.56	Calculated Property
Cp,gas	502.08	J/mol×K	515.33	Calculated Property
Cp,gas	551.57	J/mol×K	596.11	Calculated Property
Cp,gas	594.61	J/mol×K	676.89	Calculated Property
Cp,gas	631.54	J/mol×K	757.67	Calculated Property
Cp,gas	662.66	J/mol×K	838.44	Calculated Property
Cp,gas	688.30	J/mol×K	919.22	Calculated Property
Cp,gas	708.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0090898; 0.0001310]	Pa×s	[293.35; 556.54]	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			-1.36665e+01
Coefficient B			2.63014e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			293.35
Temperature range, max.			556.54
η	0.0090898	Pa×s	293.35	Calculated Property
η	0.0040325	Pa×s	322.59	Calculated Property
η	0.0020478	Pa×s	351.84	Calculated Property
η	0.0011538	Pa×s	381.08	Calculated Property
η	0.0007055	Pa×s	410.32	Calculated Property
η	0.0004606	Pa×s	439.57	Calculated Property
η	0.0003171	Pa×s	468.81	Calculated Property
η	0.0002281	Pa×s	498.05	Calculated Property
η	0.0001702	Pa×s	527.29	Calculated Property
η	0.0001310	Pa×s	556.54	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol diisobutyrate, 2,2-dimethyl.

Sources

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

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