Chemical Properties of 1,1-Ethanediol, diisobutyrate

InChI

InChI=1S/C10H18O4/c1-6(2)9(11)13-8(5)14-10(12)7(3)4/h6-8H,1-5H3

InChI Key

KQSKJYCVBSFALB-UHFFFAOYSA-N

Formula

C10H18O4

SMILES

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

Molecular Weight¹

202.25

• 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	[249.35; 553.07]	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			3.95700e+01
Coefficient B			8.62000e-01
Coefficient C			-3.40600e-04
Coefficient D			-7.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.35	J/mol×K	273.00	Calculated Property
Cp,gas	301.55	J/mol×K	353.78	Calculated Property
Cp,gas	349.19	J/mol×K	434.56	Calculated Property
Cp,gas	392.25	J/mol×K	515.33	Calculated Property
Cp,gas	430.71	J/mol×K	596.11	Calculated Property
Cp,gas	464.54	J/mol×K	676.89	Calculated Property
Cp,gas	493.72	J/mol×K	757.67	Calculated Property
Cp,gas	518.21	J/mol×K	838.44	Calculated Property
Cp,gas	538.01	J/mol×K	919.22	Calculated Property
Cp,gas	553.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0183248; 0.0001744]	Pa×s	[242.12; 510.19]	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			-1.28585e+01
Coefficient B			2.14494e+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.			242.12
Temperature range, max.			510.19
η	0.0183248	Pa×s	242.12	Calculated Property
η	0.0069435	Pa×s	271.91	Calculated Property
η	0.0031867	Pa×s	301.69	Calculated Property
η	0.0016822	Pa×s	331.48	Calculated Property
η	0.0009867	Pa×s	361.26	Calculated Property
η	0.0006277	Pa×s	391.05	Calculated Property
η	0.0004258	Pa×s	420.83	Calculated Property
η	0.0003040	Pa×s	450.62	Calculated Property
η	0.0002263	Pa×s	480.40	Calculated Property
η	0.0001744	Pa×s	510.19	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Ethanediol, diisobutyrate.

Sources

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

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