Chemical Properties of Dimethylmalonic acid, 4-chlorophenyl nonyl ester

InChI

InChI=1S/C20H29ClO4/c1-4-5-6-7-8-9-10-15-24-18(22)20(2,3)19(23)25-17-13-11-16(21)12-14-17/h11-14H,4-10,15H2,1-3H3

InChI Key

JWSKFCXZQHLJBV-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

368.89

• 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).
• IE : Ionization energy (eV).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[419.67; 955.54]	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			4.33800e+00
Coefficient B			1.78846e+00
Coefficient C			-1.03136e-03
Coefficient D			1.94100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.67	J/mol×K	273.00	Calculated Property
Cp,gas	516.57	J/mol×K	353.78	Calculated Property
Cp,gas	602.69	J/mol×K	434.56	Calculated Property
Cp,gas	678.66	J/mol×K	515.33	Calculated Property
Cp,gas	745.08	J/mol×K	596.11	Calculated Property
Cp,gas	802.58	J/mol×K	676.89	Calculated Property
Cp,gas	851.76	J/mol×K	757.67	Calculated Property
Cp,gas	893.23	J/mol×K	838.44	Calculated Property
Cp,gas	927.62	J/mol×K	919.22	Calculated Property
Cp,gas	955.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006647; 0.0000523]	Pa×s	[471.10; 731.12]	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			-1.44635e+01
Coefficient B			3.36710e+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.			471.10
Temperature range, max.			731.12
η	0.0006647	Pa×s	471.10	Calculated Property
η	0.0004398	Pa×s	499.99	Calculated Property
η	0.0003044	Pa×s	528.88	Calculated Property
η	0.0002189	Pa×s	557.77	Calculated Property
η	0.0001626	Pa×s	586.67	Calculated Property
η	0.0001242	Pa×s	615.56	Calculated Property
η	0.0000972	Pa×s	644.45	Calculated Property
η	0.0000777	Pa×s	673.34	Calculated Property
η	0.0000632	Pa×s	702.23	Calculated Property
η	0.0000523	Pa×s	731.12	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl nonyl ester.

Sources

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

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