Chemical Properties of Diethylmalonic acid, monochloride, 3-methylphenyl ester

InChI

InChI=1S/C14H17ClO3/c1-4-14(5-2,12(15)16)13(17)18-11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

InChI Key

NUTWFCNCZMULNO-UHFFFAOYSA-N

Formula

C14H17ClO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cccc(C)c1

Molecular Weight¹

268.74

• 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).
• 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°	28.42	kJ/mol	Joback Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	3.472		Crippen Calculated Property
McVol	205.610	ml/mol	McGowan Calculated Property
Inp	[1721.00; 1721.00]
Inp	1721.00		NIST
Inp	1721.00		NIST
Tboil	571.95	K	Relay (1.0) Calculated Property
Tfus	316.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[538.51; 608.92]	J/mol×K	[697.87; 917.88]
Cp,gas	538.51	J/mol×K	697.87	Joback Calculated Property
Cp,gas	552.80	J/mol×K	734.54	Joback Calculated Property
Cp,gas	566.00	J/mol×K	771.21	Joback Calculated Property
Cp,gas	578.16	J/mol×K	807.88	Joback Calculated Property
Cp,gas	589.33	J/mol×K	844.54	Joback Calculated Property
Cp,gas	599.57	J/mol×K	881.21	Joback Calculated Property
Cp,gas	608.92	J/mol×K	917.88	Joback Calculated Property
η	[0.0001051; 0.0014991]	Pa×s	[411.08; 697.87]
η	0.0014991	Pa×s	411.08	Joback Calculated Property
η	0.0007643	Pa×s	458.88	Joback Calculated Property
η	0.0004425	Pa×s	506.68	Joback Calculated Property
η	0.0002815	Pa×s	554.47	Joback Calculated Property
η	0.0001924	Pa×s	602.27	Joback Calculated Property
η	0.0001391	Pa×s	650.07	Joback Calculated Property
η	0.0001051	Pa×s	697.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 3-methylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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