Chemical Properties of Diethylmalonic acid, 2-chloro-5-methylphenyl hexadecyl ester

InChI

InChI=1S/C30H49ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-28(32)30(6-2,7-3)29(33)35-27-24-25(4)21-22-26(27)31/h21-22,24H,5-20,23H2,1-4H3

InChI Key

QPISCDKWAHVAOO-UHFFFAOYSA-N

Formula

C30H49ClO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

509.16

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	72.24	kJ/mol	Joback Calculated Property
logPoct/wat	9.385		Crippen Calculated Property
McVol	436.920	ml/mol	McGowan Calculated Property
Inp	[3345.00; 3345.00]
Inp	3345.00		NIST
Inp	3345.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[634.36; 1468.41]	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			9.54700e+00
Coefficient B			2.67898e+00
Coefficient C			-1.50832e-03
Coefficient D			2.88200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	634.36	J/mol×K	273.00	Calculated Property
Cp,gas	781.29	J/mol×K	353.78	Calculated Property
Cp,gas	912.53	J/mol×K	434.56	Calculated Property
Cp,gas	1028.99	J/mol×K	515.33	Calculated Property
Cp,gas	1131.59	J/mol×K	596.11	Calculated Property
Cp,gas	1221.22	J/mol×K	676.89	Calculated Property
Cp,gas	1298.81	J/mol×K	757.67	Calculated Property
Cp,gas	1365.26	J/mol×K	838.44	Calculated Property
Cp,gas	1421.49	J/mol×K	919.22	Calculated Property
Cp,gas	1468.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001367; 0.0000107]	Pa×s	[596.32; 926.37]	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			-1.60372e+01
Coefficient B			4.25744e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			596.32
Temperature range, max.			926.37
η	0.0001367	Pa×s	596.32	Calculated Property
η	0.0000904	Pa×s	632.99	Calculated Property
η	0.0000625	Pa×s	669.66	Calculated Property
η	0.0000450	Pa×s	706.34	Calculated Property
η	0.0000334	Pa×s	743.01	Calculated Property
η	0.0000255	Pa×s	779.68	Calculated Property
η	0.0000200	Pa×s	816.35	Calculated Property
η	0.0000159	Pa×s	853.02	Calculated Property
η	0.0000130	Pa×s	889.69	Calculated Property
η	0.0000107	Pa×s	926.37	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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