Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl heptadecyl ester

InChI

InChI=1S/C31H51ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-29(33)31(5-2,6-3)30(34)36-26-27-22-21-23-28(32)25-27/h21-23,25H,4-20,24,26H2,1-3H3

InChI Key

NALWDKUHUACNEA-UHFFFAOYSA-N

Formula

C31H51ClO4

SMILES

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

Molecular Weight¹

523.19

• 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°	75.22	kJ/mol	Joback Calculated Property
log10WS	-8.67		Relay (1.0) Calculated Property
logPoct/wat	9.604		Crippen Calculated Property
McVol	451.010	ml/mol	McGowan Calculated Property
Pc	662.21	kPa	Joback Calculated Property
Inp	[3532.00; 3532.00]
Inp	3532.00		NIST
Inp	3532.00		NIST
Tboil	709.36	K	Relay (1.0) Calculated Property
Tfus	295.90	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	[1567.89; 1648.98]	J/mol×K	[1091.18; 1350.43]
Cp,gas	1567.89	J/mol×K	1091.18	Joback Calculated Property
Cp,gas	1585.77	J/mol×K	1134.39	Joback Calculated Property
Cp,gas	1601.70	J/mol×K	1177.60	Joback Calculated Property
Cp,gas	1615.82	J/mol×K	1220.80	Joback Calculated Property
Cp,gas	1628.31	J/mol×K	1264.01	Joback Calculated Property
Cp,gas	1639.31	J/mol×K	1307.22	Joback Calculated Property
Cp,gas	1648.98	J/mol×K	1350.43	Joback Calculated Property
η	[0.0000047; 0.0001358]	Pa×s	[595.07; 1091.18]
η	0.0001358	Pa×s	595.07	Joback Calculated Property
η	0.0000551	Pa×s	677.75	Joback Calculated Property
η	0.0000272	Pa×s	760.44	Joback Calculated Property
η	0.0000154	Pa×s	843.12	Joback Calculated Property
η	0.0000097	Pa×s	925.81	Joback Calculated Property
η	0.0000065	Pa×s	1008.49	Joback Calculated Property
η	0.0000047	Pa×s	1091.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl heptadecyl 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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