Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl pentyl ester

InChI

InChI=1S/C19H28O5/c1-6-7-10-13-22-17(20)19(4,5)18(21)24-16-12-9-8-11-15(16)23-14(2)3/h8-9,11-12,14H,6-7,10,13H2,1-5H3

InChI Key

GDZGYXNMSXIHKC-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

336.43

• 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	[400.14; 914.71]	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			1.61740e+01
Coefficient B			1.62940e+00
Coefficient C			-8.48760e-04
Coefficient D			1.17900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.14	J/mol×K	273.00	Calculated Property
Cp,gas	491.61	J/mol×K	353.78	Calculated Property
Cp,gas	573.64	J/mol×K	434.56	Calculated Property
Cp,gas	646.59	J/mol×K	515.33	Calculated Property
Cp,gas	710.85	J/mol×K	596.11	Calculated Property
Cp,gas	766.78	J/mol×K	676.89	Calculated Property
Cp,gas	814.76	J/mol×K	757.67	Calculated Property
Cp,gas	855.16	J/mol×K	838.44	Calculated Property
Cp,gas	888.35	J/mol×K	919.22	Calculated Property
Cp,gas	914.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008075; 0.0000480]	Pa×s	[437.14; 703.21]	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			-1.45826e+01
Coefficient B			3.26153e+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.			437.14
Temperature range, max.			703.21
η	0.0008075	Pa×s	437.14	Calculated Property
η	0.0005034	Pa×s	466.70	Calculated Property
η	0.0003320	Pa×s	496.27	Calculated Property
η	0.0002294	Pa×s	525.83	Calculated Property
η	0.0001649	Pa×s	555.39	Calculated Property
η	0.0001226	Pa×s	584.96	Calculated Property
η	0.0000937	Pa×s	614.52	Calculated Property
η	0.0000735	Pa×s	644.08	Calculated Property
η	0.0000588	Pa×s	673.65	Calculated Property
η	0.0000480	Pa×s	703.21	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-isopropoxyphenyl pentyl ester.

Sources

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

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