Chemical Properties of Diethylmalonic acid, 2,4-dichlorophenyl tridecyl ester

InChI

InChI=1S/C26H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-31-24(29)26(5-2,6-3)25(30)32-23-18-17-21(27)20-22(23)28/h17-18,20H,4-16,19H2,1-3H3

InChI Key

XTSFSVMIPWNFKR-UHFFFAOYSA-N

Formula

C26H40Cl2O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

487.50

• 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).
• IE : Ionization energy (eV).
• 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_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°	66.08	kJ/mol	Joback Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-7.99		Relay (1.0) Calculated Property
logPoct/wat	8.559		Crippen Calculated Property
McVol	392.800	ml/mol	McGowan Calculated Property
Inp	[3116.00; 3116.00]
Inp	3116.00		NIST
Inp	3116.00		NIST
Tboil	672.47	K	Relay (1.0) Calculated Property
Tfus	316.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1278.40; 1346.78]	J/mol×K	[1019.19; 1248.16]
Cp,gas	1278.40	J/mol×K	1019.19	Joback Calculated Property
Cp,gas	1293.31	J/mol×K	1057.35	Joback Calculated Property
Cp,gas	1306.69	J/mol×K	1095.51	Joback Calculated Property
Cp,gas	1318.65	J/mol×K	1133.67	Joback Calculated Property
Cp,gas	1329.26	J/mol×K	1171.83	Joback Calculated Property
Cp,gas	1338.61	J/mol×K	1209.99	Joback Calculated Property
Cp,gas	1346.78	J/mol×K	1248.16	Joback Calculated Property
η	[0.0000091; 0.0001830]	Pa×s	[581.16; 1019.19]
η	0.0001830	Pa×s	581.16	Joback Calculated Property
η	0.0000840	Pa×s	654.17	Joback Calculated Property
η	0.0000451	Pa×s	727.17	Joback Calculated Property
η	0.0000271	Pa×s	800.18	Joback Calculated Property
η	0.0000178	Pa×s	873.18	Joback Calculated Property
η	0.0000124	Pa×s	946.19	Joback Calculated Property
η	0.0000091	Pa×s	1019.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichlorophenyl tridecyl 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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