Chemical Properties of di-(1,3-Dimethylbutyl)oxalate

InChI

InChI=1S/C14H26O4/c1-9(2)7-11(5)17-13(15)14(16)18-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3

InChI Key

WUZYAFPSKGEALY-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

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

Molecular Weight¹

258.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[333.89; 759.97]	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			3.42520e+01
Coefficient B			1.24792e+00
Coefficient C			-5.61400e-04
Coefficient D			3.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.89	J/mol×K	273.00	Calculated Property
Cp,gas	407.21	J/mol×K	353.78	Calculated Property
Cp,gas	473.75	J/mol×K	434.56	Calculated Property
Cp,gas	533.62	J/mol×K	515.33	Calculated Property
Cp,gas	586.96	J/mol×K	596.11	Calculated Property
Cp,gas	633.89	J/mol×K	676.89	Calculated Property
Cp,gas	674.53	J/mol×K	757.67	Calculated Property
Cp,gas	709.01	J/mol×K	838.44	Calculated Property
Cp,gas	737.45	J/mol×K	919.22	Calculated Property
Cp,gas	759.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0159068; 0.0001157]	Pa×s	[272.20; 571.36]	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			-1.35437e+01
Coefficient B			2.55940e+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.			272.20
Temperature range, max.			571.36
η	0.0159068	Pa×s	272.20	Calculated Property
η	0.0057173	Pa×s	305.44	Calculated Property
η	0.0025121	Pa×s	338.68	Calculated Property
η	0.0012785	Pa×s	371.92	Calculated Property
η	0.0007270	Pa×s	405.16	Calculated Property
η	0.0004503	Pa×s	438.40	Calculated Property
η	0.0002984	Pa×s	471.64	Calculated Property
η	0.0002088	Pa×s	504.88	Calculated Property
η	0.0001526	Pa×s	538.12	Calculated Property
η	0.0001157	Pa×s	571.36	Calculated Property

Similar Compounds

Find more compounds similar to di-(1,3-Dimethylbutyl)oxalate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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