Chemical Properties of Diethylmalonic acid, 2-chlorophenyl octyl ester

InChI

InChI=1S/C21H31ClO4/c1-4-7-8-9-10-13-16-25-19(23)21(5-2,6-3)20(24)26-18-15-12-11-14-17(18)22/h11-12,14-15H,4-10,13,16H2,1-3H3

InChI Key

STXLNQQWKXGIJS-UHFFFAOYSA-N

Formula

C21H31ClO4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl

Molecular Weight¹

382.92

• 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

Property	Value	Unit	Source
ΔfusH°	49.32	kJ/mol	Joback Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-5.96		Relay (1.0) Calculated Property
logPoct/wat	5.955		Crippen Calculated Property
McVol	310.110	ml/mol	McGowan Calculated Property
Pc	1168.02	kPa	Joback Calculated Property
Inp	[2455.00; 2455.00]
Inp	2455.00		NIST
Inp	2455.00		NIST
Tboil	624.62	K	Relay (1.0) Calculated Property
Tfus	304.26	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 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	[952.33; 1027.38]	J/mol×K	[862.38; 1067.67]
Cp,gas	952.33	J/mol×K	862.38	Joback Calculated Property
Cp,gas	967.78	J/mol×K	896.59	Joback Calculated Property
Cp,gas	981.99	J/mol×K	930.81	Joback Calculated Property
Cp,gas	995.01	J/mol×K	965.02	Joback Calculated Property
Cp,gas	1006.88	J/mol×K	999.24	Joback Calculated Property
Cp,gas	1017.65	J/mol×K	1033.45	Joback Calculated Property
Cp,gas	1027.38	J/mol×K	1067.67	Joback Calculated Property
η	[0.0000246; 0.0005817]	Pa×s	[482.37; 862.38]
η	0.0005817	Pa×s	482.37	Joback Calculated Property
η	0.0002529	Pa×s	545.70	Joback Calculated Property
η	0.0001308	Pa×s	609.04	Joback Calculated Property
η	0.0000766	Pa×s	672.38	Joback Calculated Property
η	0.0000492	Pa×s	735.71	Joback Calculated Property
η	0.0000339	Pa×s	799.04	Joback Calculated Property
η	0.0000246	Pa×s	862.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chlorophenyl octyl 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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