Chemical Properties of Sebacic acid, di(3-propylphenyl) ester

InChI

InChI=1S/C28H38O4/c1-3-15-23-17-11-13-19-25(23)31-27(29)21-9-7-5-6-8-10-22-28(30)32-26-20-14-12-18-24(26)16-4-2/h11-14,17-20H,3-10,15-16,21-22H2,1-2H3

InChI Key

RTERWMYMWSZOGM-UHFFFAOYSA-N

Formula

C28H38O4

SMILES

CCCc1ccccc1OC(=O)CCCCCCCCC(=O)Oc1ccccc1CCC

Molecular Weight¹

438.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	64.32	kJ/mol	Joback Calculated Property
logPoct/wat	7.223		Crippen Calculated Property
McVol	372.740	ml/mol	McGowan Calculated Property
Inp	[3312.00; 3312.00]
Inp	3312.00		NIST
Inp	3312.00		NIST
Tboil	704.73	K	Relay (1.0) Calculated Property
Tfus	331.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[522.73; 1236.96]	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			-1.09580e+01
Coefficient B			2.27744e+00
Coefficient C			-1.23852e-03
Coefficient D			2.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	522.73	J/mol×K	273.00	Calculated Property
Cp,gas	648.99	J/mol×K	353.78	Calculated Property
Cp,gas	761.99	J/mol×K	434.56	Calculated Property
Cp,gas	862.37	J/mol×K	515.33	Calculated Property
Cp,gas	950.81	J/mol×K	596.11	Calculated Property
Cp,gas	1027.97	J/mol×K	676.89	Calculated Property
Cp,gas	1094.50	J/mol×K	757.67	Calculated Property
Cp,gas	1151.07	J/mol×K	838.44	Calculated Property
Cp,gas	1198.34	J/mol×K	919.22	Calculated Property
Cp,gas	1236.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002376; 0.0000244]	Pa×s	[567.86; 874.21]	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			-1.48444e+01
Coefficient B			3.69068e+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.			567.86
Temperature range, max.			874.21
η	0.0002376	Pa×s	567.86	Calculated Property
η	0.0001645	Pa×s	601.90	Calculated Property
η	0.0001185	Pa×s	635.94	Calculated Property
η	0.0000882	Pa×s	669.98	Calculated Property
η	0.0000676	Pa×s	704.02	Calculated Property
η	0.0000531	Pa×s	738.06	Calculated Property
η	0.0000426	Pa×s	772.10	Calculated Property
η	0.0000348	Pa×s	806.14	Calculated Property
η	0.0000289	Pa×s	840.17	Calculated Property
η	0.0000244	Pa×s	874.21	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(3-propylphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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