Chemical Properties of di-(1-Methyl-2-methoxybutyl)oxalate

InChI

InChI=1S/C12H22O6/c1-7(15-5)9(3)17-11(13)12(14)18-10(4)8(2)16-6/h7-10H,1-6H3

InChI Key

WOHVUTCPBIZWDN-UHFFFAOYSA-N

Formula

C12H22O6

SMILES

COC(C)C(C)OC(=O)C(=O)OC(C)C(C)OC

Molecular Weight¹

262.30

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	23.86	kJ/mol	Joback Calculated Property
logPoct/wat	0.920		Crippen Calculated Property
McVol	206.560	ml/mol	McGowan Calculated Property
Inp	[1375.00; 1375.00]
Inp	1375.00		NIST
Inp	1375.00		NIST
Tboil	547.27	K	Relay (1.0) Calculated Property

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, Ionization energy, 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	[322.27; 693.79]	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			8.70700e+01
Coefficient B			9.31520e-01
Coefficient C			-2.30600e-04
Coefficient D			-9.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.27	J/mol×K	273.00	Calculated Property
Cp,gas	383.59	J/mol×K	353.78	Calculated Property
Cp,gas	440.59	J/mol×K	434.56	Calculated Property
Cp,gas	492.98	J/mol×K	515.33	Calculated Property
Cp,gas	540.46	J/mol×K	596.11	Calculated Property
Cp,gas	582.73	J/mol×K	676.89	Calculated Property
Cp,gas	619.50	J/mol×K	757.67	Calculated Property
Cp,gas	650.47	J/mol×K	838.44	Calculated Property
Cp,gas	675.33	J/mol×K	919.22	Calculated Property
Cp,gas	693.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066663; 0.0000889]	Pa×s	[294.12; 571.77]	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			-1.39025e+01
Coefficient B			2.61526e+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.			294.12
Temperature range, max.			571.77
η	0.0066663	Pa×s	294.12	Calculated Property
η	0.0028661	Pa×s	324.97	Calculated Property
η	0.0014265	Pa×s	355.82	Calculated Property
η	0.0007936	Pa×s	386.67	Calculated Property
η	0.0004815	Pa×s	417.52	Calculated Property
η	0.0003129	Pa×s	448.37	Calculated Property
η	0.0002149	Pa×s	479.22	Calculated Property
η	0.0001545	Pa×s	510.07	Calculated Property
η	0.0001153	Pa×s	540.92	Calculated Property
η	0.0000889	Pa×s	571.77	Calculated Property

Similar Compounds

Find more compounds similar to di-(1-Methyl-2-methoxybutyl)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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