Chemical Properties of Diethylmalonic acid, 2,4-dichloro-6-formylphenyl undecyl ester

InChI

InChI=1S/C25H36Cl2O5/c1-4-7-8-9-10-11-12-13-14-15-31-23(29)25(5-2,6-3)24(30)32-22-19(18-28)16-20(26)17-21(22)27/h16-18H,4-15H2,1-3H3

InChI Key

YGYFSIXYRYTRHU-UHFFFAOYSA-N

Formula

C25H36Cl2O5

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

487.46

• 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°	65.39	kJ/mol	Joback Calculated Property
logPoct/wat	7.592		Crippen Calculated Property
McVol	380.280	ml/mol	McGowan Calculated Property
Inp	[3101.00; 3101.00]
Inp	3101.00		NIST
Inp	3101.00		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	[549.16; 1206.46]	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			5.26820e+01
Coefficient B			2.12576e+00
Coefficient C			-1.18268e-03
Coefficient D			2.10700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	549.16	J/mol×K	273.00	Calculated Property
Cp,gas	666.04	J/mol×K	353.78	Calculated Property
Cp,gas	770.40	J/mol×K	434.56	Calculated Property
Cp,gas	862.91	J/mol×K	515.33	Calculated Property
Cp,gas	944.24	J/mol×K	596.11	Calculated Property
Cp,gas	1015.05	J/mol×K	676.89	Calculated Property
Cp,gas	1076.01	J/mol×K	757.67	Calculated Property
Cp,gas	1127.79	J/mol×K	838.44	Calculated Property
Cp,gas	1171.05	J/mol×K	919.22	Calculated Property
Cp,gas	1206.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001642; 0.0000220]	Pa×s	[624.41; 900.34]	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			-1.52798e+01
Coefficient B			4.09933e+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.			624.41
Temperature range, max.			900.34
η	0.0001642	Pa×s	624.41	Calculated Property
η	0.0001207	Pa×s	655.07	Calculated Property
η	0.0000913	Pa×s	685.73	Calculated Property
η	0.0000707	Pa×s	716.39	Calculated Property
η	0.0000559	Pa×s	747.04	Calculated Property
η	0.0000450	Pa×s	777.70	Calculated Property
η	0.0000369	Pa×s	808.36	Calculated Property
η	0.0000306	Pa×s	839.02	Calculated Property
η	0.0000258	Pa×s	869.68	Calculated Property
η	0.0000220	Pa×s	900.34	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl undecyl 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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