Chemical Properties of Sebacic acid, butyl 2-methoxyethyl ester

InChI

InChI=1S/C17H32O5/c1-3-4-13-21-16(18)11-9-7-5-6-8-10-12-17(19)22-15-14-20-2/h3-15H2,1-2H3

InChI Key

HMWKQSOUQAYPAC-UHFFFAOYSA-N

Formula

C17H32O5

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCOC

Molecular Weight¹

316.43

• 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).
• 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).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.19; 931.09]	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			6.37530e+01
Coefficient B			1.44604e+00
Coefficient C			-6.00800e-04
Coefficient D			2.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	414.19	J/mol×K	273.00	Calculated Property
Cp,gas	501.11	J/mol×K	353.78	Calculated Property
Cp,gas	580.50	J/mol×K	434.56	Calculated Property
Cp,gas	652.42	J/mol×K	515.33	Calculated Property
Cp,gas	716.94	J/mol×K	596.11	Calculated Property
Cp,gas	774.14	J/mol×K	676.89	Calculated Property
Cp,gas	824.09	J/mol×K	757.67	Calculated Property
Cp,gas	866.85	J/mol×K	838.44	Calculated Property
Cp,gas	902.49	J/mol×K	919.22	Calculated Property
Cp,gas	931.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014399; 0.0000890]	Pa×s	[388.24; 630.45]	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			-1.37879e+01
Coefficient B			2.81269e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			388.24
Temperature range, max.			630.45
η	0.0014399	Pa×s	388.24	Calculated Property
η	0.0009003	Pa×s	415.15	Calculated Property
η	0.0005960	Pa×s	442.06	Calculated Property
η	0.0004137	Pa×s	468.98	Calculated Property
η	0.0002988	Pa×s	495.89	Calculated Property
η	0.0002231	Pa×s	522.80	Calculated Property
η	0.0001714	Pa×s	549.71	Calculated Property
η	0.0001350	Pa×s	576.63	Calculated Property
η	0.0001086	Pa×s	603.54	Calculated Property
η	0.0000890	Pa×s	630.45	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 2-methoxyethyl ester.

Sources

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

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