Chemical Properties of Diethylmalonic acid, 2-chlorophenyl dodecyl ester

InChI

InChI=1S/C25H39ClO4/c1-4-7-8-9-10-11-12-13-14-17-20-29-23(27)25(5-2,6-3)24(28)30-22-19-16-15-18-21(22)26/h15-16,18-19H,4-14,17,20H2,1-3H3

InChI Key

BERCDWWEMVEOSC-UHFFFAOYSA-N

Formula

C25H39ClO4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl

Molecular Weight¹

439.04

• 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).
• 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

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 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	[1193.07; 1269.63]	J/mol×K	[953.90; 1168.40]
Cp,gas	1193.07	J/mol×K	953.90	Joback Calculated Property
Cp,gas	1209.11	J/mol×K	989.65	Joback Calculated Property
Cp,gas	1223.75	J/mol×K	1025.40	Joback Calculated Property
Cp,gas	1237.05	J/mol×K	1061.15	Joback Calculated Property
Cp,gas	1249.09	J/mol×K	1096.90	Joback Calculated Property
Cp,gas	1259.92	J/mol×K	1132.65	Joback Calculated Property
Cp,gas	1269.63	J/mol×K	1168.40	Joback Calculated Property
η	[0.0000129; 0.0003328]	Pa×s	[527.45; 953.90]
η	0.0003328	Pa×s	527.45	Joback Calculated Property
η	0.0001402	Pa×s	598.52	Joback Calculated Property
η	0.0000710	Pa×s	669.60	Joback Calculated Property
η	0.0000410	Pa×s	740.67	Joback Calculated Property
η	0.0000260	Pa×s	811.75	Joback Calculated Property
η	0.0000178	Pa×s	882.82	Joback Calculated Property
η	0.0000129	Pa×s	953.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chlorophenyl dodecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.