Chemical Properties of Diethylmalonic acid, 2-chlorophenyl hexyl ester

InChI

InChI=1S/C19H27ClO4/c1-4-7-8-11-14-23-17(21)19(5-2,6-3)18(22)24-16-13-10-9-12-15(16)20/h9-10,12-13H,4-8,11,14H2,1-3H3

InChI Key

DUBKQKAHEUYSMJ-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl

Molecular Weight¹

354.87

• 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°	44.14	kJ/mol	Joback Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-5.31		Relay (1.0) Calculated Property
logPoct/wat	5.175		Crippen Calculated Property
McVol	281.930	ml/mol	McGowan Calculated Property
Pc	1337.84	kPa	Joback Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	609.98	K	Relay (1.0) Calculated Property
Tfus	300.99	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	[835.88; 910.02]	J/mol×K	[816.62; 1021.94]
Cp,gas	835.88	J/mol×K	816.62	Joback Calculated Property
Cp,gas	851.09	J/mol×K	850.84	Joback Calculated Property
Cp,gas	865.10	J/mol×K	885.06	Joback Calculated Property
Cp,gas	877.95	J/mol×K	919.28	Joback Calculated Property
Cp,gas	889.69	J/mol×K	953.50	Joback Calculated Property
Cp,gas	900.37	J/mol×K	987.72	Joback Calculated Property
Cp,gas	910.02	J/mol×K	1021.94	Joback Calculated Property
η	[0.0000338; 0.0007575]	Pa×s	[459.83; 816.62]
η	0.0007575	Pa×s	459.83	Joback Calculated Property
η	0.0003353	Pa×s	519.29	Joback Calculated Property
η	0.0001755	Pa×s	578.76	Joback Calculated Property
η	0.0001036	Pa×s	638.22	Joback Calculated Property
η	0.0000669	Pa×s	697.69	Joback Calculated Property
η	0.0000463	Pa×s	757.15	Joback Calculated Property
η	0.0000338	Pa×s	816.62	Joback Calculated Property

Similar Compounds

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