Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl tridecyl ester

InChI

InChI=1S/C27H43ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-25(29)27(5-2,6-3)26(30)32-22-23-18-17-19-24(28)21-23/h17-19,21H,4-16,20,22H2,1-3H3

InChI Key

UTWWYFOJWRRVJZ-UHFFFAOYSA-N

Formula

C27H43ClO4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Cl)c1

Molecular Weight¹

467.09

• 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°	64.86	kJ/mol	Joback Calculated Property
log10WS	-7.56		Relay (1.0) Calculated Property
logPoct/wat	8.044		Crippen Calculated Property
McVol	394.650	ml/mol	McGowan Calculated Property
Pc	815.39	kPa	Joback Calculated Property
Inp	[3052.00; 3052.00]
Inp	3052.00		NIST
Inp	3052.00		NIST
Tboil	682.58	K	Relay (1.0) Calculated Property
Tfus	288.68	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1316.52; 1394.12]	J/mol×K	[999.66; 1224.36]
Cp,gas	1316.52	J/mol×K	999.66	Joback Calculated Property
Cp,gas	1333.01	J/mol×K	1037.11	Joback Calculated Property
Cp,gas	1347.96	J/mol×K	1074.56	Joback Calculated Property
Cp,gas	1361.46	J/mol×K	1112.01	Joback Calculated Property
Cp,gas	1373.60	J/mol×K	1149.46	Joback Calculated Property
Cp,gas	1384.45	J/mol×K	1186.91	Joback Calculated Property
Cp,gas	1394.12	J/mol×K	1224.36	Joback Calculated Property
η	[0.0000092; 0.0002485]	Pa×s	[549.99; 999.66]
η	0.0002485	Pa×s	549.99	Joback Calculated Property
η	0.0001033	Pa×s	624.93	Joback Calculated Property
η	0.0000518	Pa×s	699.88	Joback Calculated Property
η	0.0000297	Pa×s	774.82	Joback Calculated Property
η	0.0000188	Pa×s	849.77	Joback Calculated Property
η	0.0000128	Pa×s	924.71	Joback Calculated Property
η	0.0000092	Pa×s	999.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl tridecyl ester.

Sources

• Cheméo Relay (1.0)
• 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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