Chemical Properties of Sebacic acid, 2,6-dimethoxyphenyl pentyl ester

InChI

InChI=1S/C23H36O6/c1-4-5-12-18-28-21(24)16-10-8-6-7-9-11-17-22(25)29-23-19(26-2)14-13-15-20(23)27-3/h13-15H,4-12,16-18H2,1-3H3

InChI Key

MRTXDSAAZJSVHQ-UHFFFAOYSA-N

Formula

C23H36O6

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

408.53

• 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	[504.73; 1134.53]	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			7.84920e+01
Coefficient B			1.75496e+00
Coefficient C			-7.13320e-04
Coefficient D			1.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	504.73	J/mol×K	273.00	Calculated Property
Cp,gas	610.72	J/mol×K	353.78	Calculated Property
Cp,gas	707.60	J/mol×K	434.56	Calculated Property
Cp,gas	795.42	J/mol×K	515.33	Calculated Property
Cp,gas	874.22	J/mol×K	596.11	Calculated Property
Cp,gas	944.04	J/mol×K	676.89	Calculated Property
Cp,gas	1004.94	J/mol×K	757.67	Calculated Property
Cp,gas	1056.96	J/mol×K	838.44	Calculated Property
Cp,gas	1100.14	J/mol×K	919.22	Calculated Property
Cp,gas	1134.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002412; 0.0000282]	Pa×s	[529.55; 791.91]	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			-1.48084e+01
Coefficient B			3.43064e+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.			529.55
Temperature range, max.			791.91
η	0.0002412	Pa×s	529.55	Calculated Property
η	0.0001720	Pa×s	558.70	Calculated Property
η	0.0001268	Pa×s	587.85	Calculated Property
η	0.0000963	Pa×s	617.00	Calculated Property
η	0.0000749	Pa×s	646.15	Calculated Property
η	0.0000596	Pa×s	675.31	Calculated Property
η	0.0000483	Pa×s	704.46	Calculated Property
η	0.0000398	Pa×s	733.61	Calculated Property
η	0.0000333	Pa×s	762.76	Calculated Property
η	0.0000282	Pa×s	791.91	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,6-dimethoxyphenyl pentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.