Chemical Properties of didodecyl sebacate (CAS 2432-88-4)

InChI

InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-19-23-27-31-37-33(35)29-25-21-17-18-22-26-30-34(36)38-32-28-24-20-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

InChI Key

HIKZOIYUQFYFBB-UHFFFAOYSA-N

Formula

C34H66O4

SMILES

CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCC

Molecular Weight¹

538.89

CAS

2432-88-4

Other Names

• Di-n-dodecyl sebacate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[759.42; 1789.64]	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			2.28000e+01
Coefficient B			3.12424e+00
Coefficient C			-1.63660e-03
Coefficient D			2.79200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	759.42	J/mol×K	273.00	Calculated Property
Cp,gas	935.61	J/mol×K	353.78	Calculated Property
Cp,gas	1094.31	J/mol×K	434.56	Calculated Property
Cp,gas	1236.41	J/mol×K	515.33	Calculated Property
Cp,gas	1362.77	J/mol×K	596.11	Calculated Property
Cp,gas	1474.30	J/mol×K	676.89	Calculated Property
Cp,gas	1571.86	J/mol×K	757.67	Calculated Property
Cp,gas	1656.36	J/mol×K	838.44	Calculated Property
Cp,gas	1728.65	J/mol×K	919.22	Calculated Property
Cp,gas	1789.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001923; 0.0000067]	Pa×s	[557.60; 990.44]	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			-1.62525e+01
Coefficient B			4.29132e+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.			557.60
Temperature range, max.			990.44
η	0.0001923	Pa×s	557.60	Calculated Property
η	0.0001044	Pa×s	605.69	Calculated Property
η	0.0000620	Pa×s	653.79	Calculated Property
η	0.0000395	Pa×s	701.88	Calculated Property
η	0.0000267	Pa×s	749.97	Calculated Property
η	0.0000189	Pa×s	798.06	Calculated Property
η	0.0000139	Pa×s	846.16	Calculated Property
η	0.0000106	Pa×s	894.25	Calculated Property
η	0.0000083	Pa×s	942.34	Calculated Property
η	0.0000067	Pa×s	990.44	Calculated Property

Similar Compounds

Find more compounds similar to didodecyl sebacate.

Sources

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

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