Chemical Properties of Glutaric acid, eicosyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C33H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-36-31(34)25-24-26-32(35)37-29-30(2)28-33(3,4)5/h30H,6-29H2,1-5H3

InChI Key

VJJZKOBLBBNZMY-UHFFFAOYSA-N

Formula

C33H64O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

524.86

• 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	[736.44; 1740.05]	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			-2.44600e+00
Coefficient B			3.16100e+00
Coefficient C			-1.75720e-03
Coefficient D			3.38700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	736.44	J/mol×K	273.00	Calculated Property
Cp,gas	910.91	J/mol×K	353.78	Calculated Property
Cp,gas	1067.15	J/mol×K	434.56	Calculated Property
Cp,gas	1206.22	J/mol×K	515.33	Calculated Property
Cp,gas	1329.19	J/mol×K	596.11	Calculated Property
Cp,gas	1437.13	J/mol×K	676.89	Calculated Property
Cp,gas	1531.12	J/mol×K	757.67	Calculated Property
Cp,gas	1612.22	J/mol×K	838.44	Calculated Property
Cp,gas	1681.51	J/mol×K	919.22	Calculated Property
Cp,gas	1740.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002334; 0.0000061]	Pa×s	[533.75; 944.71]	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			-1.67478e+01
Coefficient B			4.47552e+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.			533.75
Temperature range, max.			944.71
η	0.0002334	Pa×s	533.75	Calculated Property
η	0.0001205	Pa×s	579.41	Calculated Property
η	0.0000686	Pa×s	625.07	Calculated Property
η	0.0000421	Pa×s	670.74	Calculated Property
η	0.0000275	Pa×s	716.40	Calculated Property
η	0.0000189	Pa×s	762.06	Calculated Property
η	0.0000136	Pa×s	807.72	Calculated Property
η	0.0000101	Pa×s	853.38	Calculated Property
η	0.0000077	Pa×s	899.05	Calculated Property
η	0.0000061	Pa×s	944.71	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, eicosyl 2,4,4-trimethylpentyl 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

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.