Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl nonyl ester

InChI

InChI=1S/C23H36O5/c1-6-7-8-9-10-11-14-17-26-21(24)23(4,5)22(25)28-20-16-13-12-15-19(20)27-18(2)3/h12-13,15-16,18H,6-11,14,17H2,1-5H3

InChI Key

INSZAOMTRODRNO-UHFFFAOYSA-N

Formula

C23H36O5

SMILES

CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

392.54

• 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

Property	Value	Unit	Source
ΔfusH°	47.97	kJ/mol	Joback Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.699		Crippen Calculated Property
McVol	331.920	ml/mol	McGowan Calculated Property
Pc	1047.33	kPa	Joback Calculated Property
Inp	[2461.00; 2461.00]
Inp	2461.00		NIST
Inp	2461.00		NIST
Tboil	625.23	K	Relay (1.0) Calculated Property
Tfus	295.32	K	Relay (1.0) Calculated Property

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	[485.00; 1121.08]	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			1.25380e+01
Coefficient B			2.00940e+00
Coefficient C			-1.06636e-03
Coefficient D			1.65500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	485.00	J/mol×K	273.00	Calculated Property
Cp,gas	597.28	J/mol×K	353.78	Calculated Property
Cp,gas	697.95	J/mol×K	434.56	Calculated Property
Cp,gas	787.51	J/mol×K	515.33	Calculated Property
Cp,gas	866.49	J/mol×K	596.11	Calculated Property
Cp,gas	935.42	J/mol×K	676.89	Calculated Property
Cp,gas	994.82	J/mol×K	757.67	Calculated Property
Cp,gas	1045.22	J/mol×K	838.44	Calculated Property
Cp,gas	1087.13	J/mol×K	919.22	Calculated Property
Cp,gas	1121.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004621; 0.0000278]	Pa×s	[482.22; 768.80]	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			-1.52244e+01
Coefficient B			3.63817e+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.			482.22
Temperature range, max.			768.80
η	0.0004621	Pa×s	482.22	Calculated Property
η	0.0002896	Pa×s	514.06	Calculated Property
η	0.0001916	Pa×s	545.91	Calculated Property
η	0.0001327	Pa×s	577.75	Calculated Property
η	0.0000955	Pa×s	609.59	Calculated Property
η	0.0000710	Pa×s	641.43	Calculated Property
η	0.0000543	Pa×s	673.28	Calculated Property
η	0.0000426	Pa×s	705.12	Calculated Property
η	0.0000341	Pa×s	736.96	Calculated Property
η	0.0000278	Pa×s	768.80	Calculated Property

Similar Compounds

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

Sources

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

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