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

InChI

InChI=1S/C28H46O4/c1-6-9-10-11-12-13-14-15-16-17-18-22-31-26(29)28(7-2,8-3)27(30)32-25-21-19-20-23(4)24(25)5/h19-21H,6-18,22H2,1-5H3

InChI Key

RYTWXOWMMFNORR-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

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

Molecular Weight¹

446.67

• 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°	62.86	kJ/mol	Joback Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	7.869		Crippen Calculated Property
McVol	396.500	ml/mol	McGowan Calculated Property
Pc	782.00	kPa	Joback Calculated Property
Inp	[3014.00; 3014.00]
Inp	3014.00		NIST
Inp	3014.00		NIST
Tboil	673.61	K	Relay (1.0) Calculated Property
Tfus	318.76	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	[578.53; 1356.95]	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			-1.52600e+00
Coefficient B			2.48220e+00
Coefficient C			-1.37912e-03
Coefficient D			2.55400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	578.53	J/mol×K	273.00	Calculated Property
Cp,gas	715.32	J/mol×K	353.78	Calculated Property
Cp,gas	837.66	J/mol×K	434.56	Calculated Property
Cp,gas	946.34	J/mol×K	515.33	Calculated Property
Cp,gas	1042.17	J/mol×K	596.11	Calculated Property
Cp,gas	1125.97	J/mol×K	676.89	Calculated Property
Cp,gas	1198.54	J/mol×K	757.67	Calculated Property
Cp,gas	1260.69	J/mol×K	838.44	Calculated Property
Cp,gas	1313.23	J/mol×K	919.22	Calculated Property
Cp,gas	1356.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002462; 0.0000187]	Pa×s	[543.86; 849.05]	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			-1.54762e+01
Coefficient B			3.89780e+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.			543.86
Temperature range, max.			849.05
η	0.0002462	Pa×s	543.86	Calculated Property
η	0.0001617	Pa×s	577.77	Calculated Property
η	0.0001112	Pa×s	611.68	Calculated Property
η	0.0000796	Pa×s	645.59	Calculated Property
η	0.0000589	Pa×s	679.50	Calculated Property
η	0.0000448	Pa×s	713.41	Calculated Property
η	0.0000350	Pa×s	747.32	Calculated Property
η	0.0000279	Pa×s	781.23	Calculated Property
η	0.0000227	Pa×s	815.14	Calculated Property
η	0.0000187	Pa×s	849.05	Calculated Property

Similar Compounds

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

Sources

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

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