Chemical Properties of Diethylmalonic acid, 4-chloro-2-methylphenyl decyl ester

InChI

InChI=1S/C24H37ClO4/c1-5-8-9-10-11-12-13-14-17-28-22(26)24(6-2,7-3)23(27)29-21-16-15-20(25)18-19(21)4/h15-16,18H,5-14,17H2,1-4H3

InChI Key

BBXQUMPKNRFZEM-UHFFFAOYSA-N

Formula

C24H37ClO4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

425.01

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	56.70	kJ/mol	Joback Calculated Property
log10WS	-6.84		Relay (1.0) Calculated Property
logPoct/wat	7.044		Crippen Calculated Property
McVol	352.380	ml/mol	McGowan Calculated Property
Inp	[2743.00; 2743.00]
Inp	2743.00		NIST
Inp	2743.00		NIST
Tfus	306.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[507.08; 1158.86]	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			1.50010e+01
Coefficient B			2.10898e+00
Coefficient C			-1.18192e-03
Coefficient D			2.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	507.08	J/mol×K	273.00	Calculated Property
Cp,gas	622.78	J/mol×K	353.78	Calculated Property
Cp,gas	726.07	J/mol×K	434.56	Calculated Property
Cp,gas	817.62	J/mol×K	515.33	Calculated Property
Cp,gas	898.12	J/mol×K	596.11	Calculated Property
Cp,gas	968.25	J/mol×K	676.89	Calculated Property
Cp,gas	1028.71	J/mol×K	757.67	Calculated Property
Cp,gas	1080.17	J/mol×K	838.44	Calculated Property
Cp,gas	1123.33	J/mol×K	919.22	Calculated Property
Cp,gas	1158.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003224; 0.0000296]	Pa×s	[528.70; 803.52]	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			-1.50239e+01
Coefficient B			3.69248e+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.			528.70
Temperature range, max.			803.52
η	0.0003224	Pa×s	528.70	Calculated Property
η	0.0002202	Pa×s	559.24	Calculated Property
η	0.0001564	Pa×s	589.77	Calculated Property
η	0.0001149	Pa×s	620.31	Calculated Property
η	0.0000869	Pa×s	650.84	Calculated Property
η	0.0000674	Pa×s	681.38	Calculated Property
η	0.0000534	Pa×s	711.91	Calculated Property
η	0.0000432	Pa×s	742.45	Calculated Property
η	0.0000355	Pa×s	772.98	Calculated Property
η	0.0000296	Pa×s	803.52	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chloro-2-methylphenyl decyl 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

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