Chemical Properties of Sebacic acid, butyl 4-phenoxybenzyl ester

InChI

InChI=1S/C27H36O5/c1-2-3-21-30-26(28)15-11-6-4-5-7-12-16-27(29)31-22-23-17-19-25(20-18-23)32-24-13-9-8-10-14-24/h8-10,13-14,17-20H,2-7,11-12,15-16,21-22H2,1H3

InChI Key

CHFLAPZAMWWJCE-UHFFFAOYSA-N

Formula

C27H36O5

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

440.57

• 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	[514.37; 1206.91]	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			1.15200e+00
Coefficient B			2.17872e+00
Coefficient C			-1.14016e-03
Coefficient D			1.67200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	514.37	J/mol×K	273.00	Calculated Property
Cp,gas	636.64	J/mol×K	353.78	Calculated Property
Cp,gas	746.34	J/mol×K	434.56	Calculated Property
Cp,gas	844.01	J/mol×K	515.33	Calculated Property
Cp,gas	930.17	J/mol×K	596.11	Calculated Property
Cp,gas	1005.36	J/mol×K	676.89	Calculated Property
Cp,gas	1070.10	J/mol×K	757.67	Calculated Property
Cp,gas	1124.92	J/mol×K	838.44	Calculated Property
Cp,gas	1170.35	J/mol×K	919.22	Calculated Property
Cp,gas	1206.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002110; 0.0000207]	Pa×s	[566.30; 869.63]	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			-1.51209e+01
Coefficient B			3.76987e+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.			566.30
Temperature range, max.			869.63
η	0.0002110	Pa×s	566.30	Calculated Property
η	0.0001451	Pa×s	600.00	Calculated Property
η	0.0001039	Pa×s	633.71	Calculated Property
η	0.0000769	Pa×s	667.41	Calculated Property
η	0.0000587	Pa×s	701.11	Calculated Property
η	0.0000458	Pa×s	734.81	Calculated Property
η	0.0000366	Pa×s	768.52	Calculated Property
η	0.0000298	Pa×s	802.22	Calculated Property
η	0.0000246	Pa×s	835.92	Calculated Property
η	0.0000207	Pa×s	869.63	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 4-phenoxybenzyl 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.