Chemical Properties of Diethylmalonic acid, dodecyl 2-ethylphenyl ester

InChI

InChI=1S/C27H44O4/c1-5-9-10-11-12-13-14-15-16-19-22-30-25(28)27(7-3,8-4)26(29)31-24-21-18-17-20-23(24)6-2/h17-18,20-21H,5-16,19,22H2,1-4H3

InChI Key

MPADDMYVXHAVCK-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

432.64

• 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°	60.66	kJ/mol	Joback Calculated Property
log10WS	-6.92		Relay (1.0) Calculated Property
logPoct/wat	7.425		Crippen Calculated Property
McVol	382.410	ml/mol	McGowan Calculated Property
Pc	832.90	kPa	Joback Calculated Property
Inp	[2805.00; 2805.00]
Inp	2805.00		NIST
Inp	2805.00		NIST
Tboil	660.66	K	Relay (1.0) Calculated Property
Tfus	294.29	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	[554.76; 1308.40]	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			-1.49160e+01
Coefficient B			2.44668e+00
Coefficient C			-1.39176e-03
Coefficient D			2.68400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	554.76	J/mol×K	273.00	Calculated Property
Cp,gas	688.36	J/mol×K	353.78	Calculated Property
Cp,gas	807.51	J/mol×K	434.56	Calculated Property
Cp,gas	913.06	J/mol×K	515.33	Calculated Property
Cp,gas	1005.87	J/mol×K	596.11	Calculated Property
Cp,gas	1086.78	J/mol×K	676.89	Calculated Property
Cp,gas	1156.64	J/mol×K	757.67	Calculated Property
Cp,gas	1216.30	J/mol×K	838.44	Calculated Property
Cp,gas	1266.60	J/mol×K	919.22	Calculated Property
Cp,gas	1308.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003386; 0.0000219]	Pa×s	[520.07; 824.64]	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			-1.54031e+01
Coefficient B			3.85490e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			520.07
Temperature range, max.			824.64
η	0.0003386	Pa×s	520.07	Calculated Property
η	0.0002153	Pa×s	553.91	Calculated Property
η	0.0001442	Pa×s	587.75	Calculated Property
η	0.0001009	Pa×s	621.59	Calculated Property
η	0.0000733	Pa×s	655.43	Calculated Property
η	0.0000549	Pa×s	689.27	Calculated Property
η	0.0000422	Pa×s	723.11	Calculated Property
η	0.0000333	Pa×s	756.95	Calculated Property
η	0.0000268	Pa×s	790.79	Calculated Property
η	0.0000219	Pa×s	824.64	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2-ethylphenyl ester.

Sources

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

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