Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl tetradecyl ester

InChI

InChI=1S/C28H45ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-32-26(30)28(5-2,6-3)27(31)33-23-24-18-20-25(29)21-19-24/h18-21H,4-17,22-23H2,1-3H3

InChI Key

CEYGGNZJYGUAKJ-UHFFFAOYSA-N

Formula

C28H45ClO4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

481.11

• 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°	67.45	kJ/mol	Joback Calculated Property
log10WS	-7.81		Relay (1.0) Calculated Property
logPoct/wat	8.434		Crippen Calculated Property
McVol	408.740	ml/mol	McGowan Calculated Property
Pc	772.46	kPa	Joback Calculated Property
Inp	[3182.00; 3182.00]
Inp	3182.00		NIST
Inp	3182.00		NIST
Tboil	693.23	K	Relay (1.0) Calculated Property
Tfus	296.59	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	[1378.86; 1457.12]	J/mol×K	[1022.54; 1253.98]
Cp,gas	1378.86	J/mol×K	1022.54	Joback Calculated Property
Cp,gas	1395.63	J/mol×K	1061.11	Joback Calculated Property
Cp,gas	1410.78	J/mol×K	1099.69	Joback Calculated Property
Cp,gas	1424.40	J/mol×K	1138.26	Joback Calculated Property
Cp,gas	1436.60	J/mol×K	1176.83	Joback Calculated Property
Cp,gas	1447.47	J/mol×K	1215.40	Joback Calculated Property
Cp,gas	1457.12	J/mol×K	1253.98	Joback Calculated Property
η	[0.0000078; 0.0002142]	Pa×s	[561.26; 1022.54]
η	0.0002142	Pa×s	561.26	Joback Calculated Property
η	0.0000885	Pa×s	638.14	Joback Calculated Property
η	0.0000442	Pa×s	715.02	Joback Calculated Property
η	0.0000252	Pa×s	791.90	Joback Calculated Property
η	0.0000159	Pa×s	868.78	Joback Calculated Property
η	0.0000108	Pa×s	945.66	Joback Calculated Property
η	0.0000078	Pa×s	1022.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorobenzyl tetradecyl 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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