Chemical Properties of Diethylmalonic acid, 2-formylphenyl tetradecyl ester

InChI

InChI=1S/C28H44O5/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)28(5-2,6-3)27(31)33-25-21-18-17-20-24(25)23-29/h17-18,20-21,23H,4-16,19,22H2,1-3H3

InChI Key

LORJISMCQZIGHO-UHFFFAOYSA-N

Formula

C28H44O5

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

460.65

• 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°	65.54	kJ/mol	Joback Calculated Property
log10WS	-6.91		Relay (1.0) Calculated Property
logPoct/wat	7.455		Crippen Calculated Property
McVol	398.070	ml/mol	McGowan Calculated Property
Pc	822.42	kPa	Joback Calculated Property
Inp	[3178.00; 3178.00]
Inp	3178.00		NIST
Inp	3178.00		NIST
Tboil	685.85	K	Relay (1.0) Calculated Property
Tfus	308.66	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	[580.89; 1350.78]	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			-4.42500e+00
Coefficient B			2.51616e+00
Coefficient C			-1.43916e-03
Coefficient D			2.78200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	580.89	J/mol×K	273.00	Calculated Property
Cp,gas	717.93	J/mol×K	353.78	Calculated Property
Cp,gas	840.05	J/mol×K	434.56	Calculated Property
Cp,gas	948.11	J/mol×K	515.33	Calculated Property
Cp,gas	1043.01	J/mol×K	596.11	Calculated Property
Cp,gas	1125.62	J/mol×K	676.89	Calculated Property
Cp,gas	1196.82	J/mol×K	757.67	Calculated Property
Cp,gas	1257.50	J/mol×K	838.44	Calculated Property
Cp,gas	1308.52	J/mol×K	919.22	Calculated Property
Cp,gas	1350.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002462; 0.0000190]	Pa×s	[573.34; 888.19]	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			-1.55334e+01
Coefficient B			4.14169e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			573.34
Temperature range, max.			888.19
η	0.0002462	Pa×s	573.34	Calculated Property
η	0.0001625	Pa×s	608.32	Calculated Property
η	0.0001122	Pa×s	643.31	Calculated Property
η	0.0000805	Pa×s	678.29	Calculated Property
η	0.0000597	Pa×s	713.27	Calculated Property
η	0.0000455	Pa×s	748.26	Calculated Property
η	0.0000355	Pa×s	783.24	Calculated Property
η	0.0000283	Pa×s	818.22	Calculated Property
η	0.0000230	Pa×s	853.21	Calculated Property
η	0.0000190	Pa×s	888.19	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-formylphenyl tetradecyl ester.

Sources

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

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