Chemical Properties of Di-isotridecylazelate

InChI

InChI=1S/C35H68O4/c1-32(2)26-20-14-9-5-7-11-18-24-30-38-34(36)28-22-16-13-17-23-29-35(37)39-31-25-19-12-8-6-10-15-21-27-33(3)4/h32-33H,5-31H2,1-4H3

InChI Key

PNONOHHLPHOHQC-UHFFFAOYSA-N

Formula

C35H68O4

SMILES

CC(C)CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCC(C)C

Molecular Weight¹

552.93

• 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).
• 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	[780.01; 1842.31]	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			1.85270e+01
Coefficient B			3.23108e+00
Coefficient C			-1.69740e-03
Coefficient D			2.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	780.01	J/mol×K	273.00	Calculated Property
Cp,gas	962.01	J/mol×K	353.78	Calculated Property
Cp,gas	1125.88	J/mol×K	434.56	Calculated Property
Cp,gas	1272.54	J/mol×K	515.33	Calculated Property
Cp,gas	1402.89	J/mol×K	596.11	Calculated Property
Cp,gas	1517.87	J/mol×K	676.89	Calculated Property
Cp,gas	1618.38	J/mol×K	757.67	Calculated Property
Cp,gas	1705.34	J/mol×K	838.44	Calculated Property
Cp,gas	1779.68	J/mol×K	919.22	Calculated Property
Cp,gas	1842.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002215; 0.0000046]	Pa×s	[538.87; 1012.73]	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			-1.66938e+01
Coefficient B			4.46112e+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.			538.87
Temperature range, max.			1012.73
η	0.0002215	Pa×s	538.87	Calculated Property
η	0.0001060	Pa×s	591.52	Calculated Property
η	0.0000572	Pa×s	644.17	Calculated Property
η	0.0000339	Pa×s	696.82	Calculated Property
η	0.0000216	Pa×s	749.47	Calculated Property
η	0.0000146	Pa×s	802.13	Calculated Property
η	0.0000104	Pa×s	854.78	Calculated Property
η	0.0000077	Pa×s	907.43	Calculated Property
η	0.0000059	Pa×s	960.08	Calculated Property
η	0.0000046	Pa×s	1012.73	Calculated Property

Similar Compounds

Find more compounds similar to Di-isotridecylazelate.

Sources

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

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