Chemical Properties of Diethylmalonic acid, heptyl 2-isopropylphenyl ester

InChI

InChI=1S/C23H36O4/c1-6-9-10-11-14-17-26-21(24)23(7-2,8-3)22(25)27-20-16-13-12-15-19(20)18(4)5/h12-13,15-16,18H,6-11,14,17H2,1-5H3

InChI Key

IDMRPZCLHPEGPD-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

376.54

• 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	[469.59; 1102.58]	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			-1.29620e+01
Coefficient B			2.07260e+00
Coefficient C			-1.17736e-03
Coefficient D			2.20300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	469.59	J/mol×K	273.00	Calculated Property
Cp,gas	582.68	J/mol×K	353.78	Calculated Property
Cp,gas	683.44	J/mol×K	434.56	Calculated Property
Cp,gas	772.60	J/mol×K	515.33	Calculated Property
Cp,gas	850.83	J/mol×K	596.11	Calculated Property
Cp,gas	918.84	J/mol×K	676.89	Calculated Property
Cp,gas	977.32	J/mol×K	757.67	Calculated Property
Cp,gas	1026.98	J/mol×K	838.44	Calculated Property
Cp,gas	1068.49	J/mol×K	919.22	Calculated Property
Cp,gas	1102.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007201; 0.0000371]	Pa×s	[459.99; 751.72]	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			-1.48800e+01
Coefficient B			3.51608e+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.			459.99
Temperature range, max.			751.72
η	0.0007201	Pa×s	459.99	Calculated Property
η	0.0004354	Pa×s	492.40	Calculated Property
η	0.0002801	Pa×s	524.82	Calculated Property
η	0.0001897	Pa×s	557.23	Calculated Property
η	0.0001341	Pa×s	589.65	Calculated Property
η	0.0000983	Pa×s	622.06	Calculated Property
η	0.0000743	Pa×s	654.48	Calculated Property
η	0.0000576	Pa×s	686.89	Calculated Property
η	0.0000458	Pa×s	719.31	Calculated Property
η	0.0000371	Pa×s	751.72	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptyl 2-isopropylphenyl ester.

Sources

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

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