Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl pentadecyl ester

InChI

InChI=1S/C29H47ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-27(31)29(5-2,6-3)28(32)34-24-25-20-19-21-26(30)23-25/h19-21,23H,4-18,22,24H2,1-3H3

InChI Key

OSOGZWNSTJXONA-UHFFFAOYSA-N

Formula

C29H47ClO4

SMILES

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

Molecular Weight¹

495.14

• 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°	70.04	kJ/mol	Joback Calculated Property
log10WS	-8.12		Relay (1.0) Calculated Property
logPoct/wat	8.824		Crippen Calculated Property
McVol	422.830	ml/mol	McGowan Calculated Property
Pc	732.84	kPa	Joback Calculated Property
Inp	[3262.00; 3262.00]
Inp	3262.00		NIST
Inp	3262.00		NIST
Tboil	696.17	K	Relay (1.0) Calculated Property
Tfus	292.02	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	[1441.56; 1520.60]	J/mol×K	[1045.42; 1284.80]
Cp,gas	1441.56	J/mol×K	1045.42	Joback Calculated Property
Cp,gas	1458.65	J/mol×K	1085.32	Joback Calculated Property
Cp,gas	1474.02	J/mol×K	1125.21	Joback Calculated Property
Cp,gas	1487.79	J/mol×K	1165.11	Joback Calculated Property
Cp,gas	1500.06	J/mol×K	1205.01	Joback Calculated Property
Cp,gas	1510.96	J/mol×K	1244.91	Joback Calculated Property
Cp,gas	1520.60	J/mol×K	1284.80	Joback Calculated Property
η	[0.0000066; 0.0001843]	Pa×s	[572.53; 1045.42]
η	0.0001843	Pa×s	572.53	Joback Calculated Property
η	0.0000756	Pa×s	651.34	Joback Calculated Property
η	0.0000376	Pa×s	730.16	Joback Calculated Property
η	0.0000214	Pa×s	808.97	Joback Calculated Property
η	0.0000135	Pa×s	887.79	Joback Calculated Property
η	0.0000092	Pa×s	966.60	Joback Calculated Property
η	0.0000066	Pa×s	1045.42	Joback Calculated Property

Similar Compounds

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