Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl hexadecyl ester

InChI

InChI=1S/C30H49ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-28(32)30(5-2,6-3)29(33)35-25-26-21-20-22-27(31)24-26/h20-22,24H,4-19,23,25H2,1-3H3

InChI Key

GFPJKLQNOPTAMA-UHFFFAOYSA-N

Formula

C30H49ClO4

SMILES

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

Molecular Weight¹

509.16

• 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°	72.63	kJ/mol	Joback Calculated Property
log10WS	-8.40		Relay (1.0) Calculated Property
logPoct/wat	9.214		Crippen Calculated Property
McVol	436.920	ml/mol	McGowan Calculated Property
Pc	696.18	kPa	Joback Calculated Property
Inp	[3385.00; 3385.00]
Inp	3385.00		NIST
Inp	3385.00		NIST
Tboil	702.80	K	Relay (1.0) Calculated Property
Tfus	293.85	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	[1504.58; 1584.56]	J/mol×K	[1068.30; 1316.92]
Cp,gas	1504.58	J/mol×K	1068.30	Joback Calculated Property
Cp,gas	1522.04	J/mol×K	1109.74	Joback Calculated Property
Cp,gas	1537.67	J/mol×K	1151.17	Joback Calculated Property
Cp,gas	1551.60	J/mol×K	1192.61	Joback Calculated Property
Cp,gas	1563.97	J/mol×K	1234.05	Joback Calculated Property
Cp,gas	1574.91	J/mol×K	1275.48	Joback Calculated Property
Cp,gas	1584.56	J/mol×K	1316.92	Joback Calculated Property
η	[0.0000056; 0.0001583]	Pa×s	[583.80; 1068.30]
η	0.0001583	Pa×s	583.80	Joback Calculated Property
η	0.0000646	Pa×s	664.55	Joback Calculated Property
η	0.0000320	Pa×s	745.30	Joback Calculated Property
η	0.0000182	Pa×s	826.05	Joback Calculated Property
η	0.0000114	Pa×s	906.80	Joback Calculated Property
η	0.0000077	Pa×s	987.55	Joback Calculated Property
η	0.0000056	Pa×s	1068.30	Joback Calculated Property

Similar Compounds

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