Chemical Properties of di-(2-Methoxybutyl)suberate

InChI

InChI=1S/C18H34O6/c1-5-15(21-3)13-23-17(19)11-9-7-8-10-12-18(20)24-14-16(6-2)22-4/h15-16H,5-14H2,1-4H3

InChI Key

YUVNXNMRMXCSBU-UHFFFAOYSA-N

Formula

C18H34O6

SMILES

CCC(COC(=O)CCCCCCC(=O)OCC(CC)OC)OC

Molecular Weight¹

346.46

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[450.18; 1002.26]	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			8.49800e+01
Coefficient B			1.48968e+00
Coefficient C			-5.50600e-04
Coefficient D			-2.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.18	J/mol×K	273.00	Calculated Property
Cp,gas	542.12	J/mol×K	353.78	Calculated Property
Cp,gas	626.57	J/mol×K	434.56	Calculated Property
Cp,gas	703.46	J/mol×K	515.33	Calculated Property
Cp,gas	772.72	J/mol×K	596.11	Calculated Property
Cp,gas	834.29	J/mol×K	676.89	Calculated Property
Cp,gas	888.10	J/mol×K	757.67	Calculated Property
Cp,gas	934.08	J/mol×K	838.44	Calculated Property
Cp,gas	972.15	J/mol×K	919.22	Calculated Property
Cp,gas	1002.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013266; 0.0000507]	Pa×s	[391.74; 665.99]	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			-1.45502e+01
Coefficient B			3.10458e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			391.74
Temperature range, max.			665.99
η	0.0013266	Pa×s	391.74	Calculated Property
η	0.0007488	Pa×s	422.21	Calculated Property
η	0.0004564	Pa×s	452.68	Calculated Property
η	0.0002962	Pa×s	483.16	Calculated Property
η	0.0002023	Pa×s	513.63	Calculated Property
η	0.0001442	Pa×s	544.10	Calculated Property
η	0.0001065	Pa×s	574.57	Calculated Property
η	0.0000812	Pa×s	605.05	Calculated Property
η	0.0000635	Pa×s	635.52	Calculated Property
η	0.0000507	Pa×s	665.99	Calculated Property

Similar Compounds

Find more compounds similar to di-(2-Methoxybutyl)suberate.

Sources

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

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