Chemical Properties of Sebacic acid, butyl 2-ethylphenyl ester

InChI

InChI=1S/C22H34O4/c1-3-5-18-25-21(23)16-10-8-6-7-9-11-17-22(24)26-20-15-13-12-14-19(20)4-2/h12-15H,3-11,16-18H2,1-2H3

InChI Key

BUZCTAUODRVBDM-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1CC

Molecular Weight¹

362.50

• 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).
• 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, 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	[450.15; 1048.98]	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			1.41020e+01
Coefficient B			1.84584e+00
Coefficient C			-9.47960e-04
Coefficient D			1.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	450.15	J/mol×K	273.00	Calculated Property
Cp,gas	554.54	J/mol×K	353.78	Calculated Property
Cp,gas	648.45	J/mol×K	434.56	Calculated Property
Cp,gas	732.33	J/mol×K	515.33	Calculated Property
Cp,gas	806.59	J/mol×K	596.11	Calculated Property
Cp,gas	871.68	J/mol×K	676.89	Calculated Property
Cp,gas	928.04	J/mol×K	757.67	Calculated Property
Cp,gas	976.08	J/mol×K	838.44	Calculated Property
Cp,gas	1016.25	J/mol×K	919.22	Calculated Property
Cp,gas	1048.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007199; 0.0000573]	Pa×s	[461.30; 733.74]	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			-1.40509e+01
Coefficient B			3.14356e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			461.30
Temperature range, max.			733.74
η	0.0007199	Pa×s	461.30	Calculated Property
η	0.0004732	Pa×s	491.57	Calculated Property
η	0.0003265	Pa×s	521.84	Calculated Property
η	0.0002347	Pa×s	552.11	Calculated Property
η	0.0001746	Pa×s	582.39	Calculated Property
η	0.0001337	Pa×s	612.66	Calculated Property
η	0.0001050	Pa×s	642.93	Calculated Property
η	0.0000843	Pa×s	673.20	Calculated Property
η	0.0000689	Pa×s	703.47	Calculated Property
η	0.0000573	Pa×s	733.74	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.