Chemical Properties of Diethylmalonic acid, 2,3-dimethylphenyl octadecyl ester

InChI

InChI=1S/C33H56O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-36-31(34)33(7-2,8-3)32(35)37-30-26-24-25-28(4)29(30)5/h24-26H,6-23,27H2,1-5H3

InChI Key

OBSBAGVOWWHCKG-UHFFFAOYSA-N

Formula

C33H56O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

516.81

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[684.60; 1614.91]	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			-6.07100e+00
Coefficient B			2.95720e+00
Coefficient C			-1.65112e-03
Coefficient D			3.14900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	684.60	J/mol×K	273.00	Calculated Property
Cp,gas	847.41	J/mol×K	353.78	Calculated Property
Cp,gas	993.04	J/mol×K	434.56	Calculated Property
Cp,gas	1122.48	J/mol×K	515.33	Calculated Property
Cp,gas	1236.73	J/mol×K	596.11	Calculated Property
Cp,gas	1336.78	J/mol×K	676.89	Calculated Property
Cp,gas	1423.63	J/mol×K	757.67	Calculated Property
Cp,gas	1498.27	J/mol×K	838.44	Calculated Property
Cp,gas	1561.69	J/mol×K	919.22	Calculated Property
Cp,gas	1614.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001178; 0.0000076]	Pa×s	[600.21; 962.82]	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			-1.63253e+01
Coefficient B			4.36860e+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.			600.21
Temperature range, max.			962.82
η	0.0001178	Pa×s	600.21	Calculated Property
η	0.0000745	Pa×s	640.50	Calculated Property
η	0.0000498	Pa×s	680.79	Calculated Property
η	0.0000348	Pa×s	721.08	Calculated Property
η	0.0000252	Pa×s	761.37	Calculated Property
η	0.0000189	Pa×s	801.66	Calculated Property
η	0.0000146	Pa×s	841.95	Calculated Property
η	0.0000115	Pa×s	882.24	Calculated Property
η	0.0000093	Pa×s	922.53	Calculated Property
η	0.0000076	Pa×s	962.82	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl octadecyl ester.

Sources

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

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