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

InChI

InChI=1S/C24H38O4/c1-6-9-10-11-12-13-14-18-27-22(25)24(7-2,8-3)23(26)28-21-17-15-16-19(4)20(21)5/h15-17H,6-14,18H2,1-5H3

InChI Key

UPLNDKZBHMBTGQ-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

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

Molecular Weight¹

390.56

• 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°	52.50	kJ/mol	Joback Calculated Property
log10WS	-6.11		Relay (1.0) Calculated Property
logPoct/wat	6.309		Crippen Calculated Property
McVol	340.140	ml/mol	McGowan Calculated Property
Pc	981.46	kPa	Joback Calculated Property
Inp	[2592.00; 2592.00]
Inp	2592.00		NIST
Inp	2592.00		NIST
Tboil	645.76	K	Relay (1.0) Calculated Property
Tfus	315.57	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	[493.67; 1150.59]	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			2.11000e+00
Coefficient B			2.10220e+00
Coefficient C			-1.16152e-03
Coefficient D			2.07800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	493.67	J/mol×K	273.00	Calculated Property
Cp,gas	609.65	J/mol×K	353.78	Calculated Property
Cp,gas	713.35	J/mol×K	434.56	Calculated Property
Cp,gas	805.42	J/mol×K	515.33	Calculated Property
Cp,gas	886.53	J/mol×K	596.11	Calculated Property
Cp,gas	957.33	J/mol×K	676.89	Calculated Property
Cp,gas	1018.48	J/mol×K	757.67	Calculated Property
Cp,gas	1070.63	J/mol×K	838.44	Calculated Property
Cp,gas	1114.45	J/mol×K	919.22	Calculated Property
Cp,gas	1150.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004287; 0.0000351]	Pa×s	[498.78; 772.69]	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			-1.48144e+01
Coefficient B			3.52116e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			498.78
Temperature range, max.			772.69
η	0.0004287	Pa×s	498.78	Calculated Property
η	0.0002856	Pa×s	529.21	Calculated Property
η	0.0001989	Pa×s	559.65	Calculated Property
η	0.0001438	Pa×s	590.08	Calculated Property
η	0.0001073	Pa×s	620.52	Calculated Property
η	0.0000823	Pa×s	650.95	Calculated Property
η	0.0000646	Pa×s	681.39	Calculated Property
η	0.0000518	Pa×s	711.82	Calculated Property
η	0.0000423	Pa×s	742.25	Calculated Property
η	0.0000351	Pa×s	772.69	Calculated Property

Similar Compounds

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

Sources

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

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