Chemical Properties of Glutaric acid, 6-methylhept-2-yl octadecyl ester

InChI

InChI=1S/C31H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-34-30(32)25-22-26-31(33)35-29(4)24-21-23-28(2)3/h28-29H,5-27H2,1-4H3

InChI Key

VAVULTJUKXQAIQ-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)CCCC(C)C

Molecular Weight¹

496.81

• 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	[695.15; 1635.94]	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			2.21630e+01
Coefficient B			2.85108e+00
Coefficient C			-1.47980e-03
Coefficient D			2.42500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	695.15	J/mol×K	273.00	Calculated Property
Cp,gas	856.34	J/mol×K	353.78	Calculated Property
Cp,gas	1001.57	J/mol×K	434.56	Calculated Property
Cp,gas	1131.62	J/mol×K	515.33	Calculated Property
Cp,gas	1247.25	J/mol×K	596.11	Calculated Property
Cp,gas	1349.22	J/mol×K	676.89	Calculated Property
Cp,gas	1438.31	J/mol×K	757.67	Calculated Property
Cp,gas	1515.29	J/mol×K	838.44	Calculated Property
Cp,gas	1580.91	J/mol×K	919.22	Calculated Property
Cp,gas	1635.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004381; 0.0000105]	Pa×s	[493.79; 898.78]	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			-1.60048e+01
Coefficient B			4.08448e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			493.79
Temperature range, max.			898.78
η	0.0004381	Pa×s	493.79	Calculated Property
η	0.0002196	Pa×s	538.79	Calculated Property
η	0.0001224	Pa×s	583.79	Calculated Property
η	0.0000742	Pa×s	628.79	Calculated Property
η	0.0000481	Pa×s	673.78	Calculated Property
η	0.0000329	Pa×s	718.78	Calculated Property
η	0.0000235	Pa×s	763.78	Calculated Property
η	0.0000175	Pa×s	808.78	Calculated Property
η	0.0000134	Pa×s	853.78	Calculated Property
η	0.0000105	Pa×s	898.78	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 6-methylhept-2-yl octadecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.