Chemical Properties of Diethylmalonic acid, 4-chlorophenyl ethyl ester

InChI

InChI=1S/C15H19ClO4/c1-4-15(5-2,13(17)19-6-3)14(18)20-12-9-7-11(16)8-10-12/h7-10H,4-6H2,1-3H3

InChI Key

RMBSYOLXIBKWOZ-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

CCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

298.76

• 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).
• 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°	33.78	kJ/mol	Joback Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
logPoct/wat	3.615		Crippen Calculated Property
McVol	225.570	ml/mol	McGowan Calculated Property
Inp	[1857.00; 1857.00]
Inp	1857.00		NIST
Inp	1857.00		NIST
Tboil	596.46	K	Relay (1.0) Calculated Property
Tfus	310.32	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, Log10 of Water solubility in mol/l 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	[613.34; 683.81]	J/mol×K	[725.10; 937.73]
Cp,gas	613.34	J/mol×K	725.10	Joback Calculated Property
Cp,gas	627.80	J/mol×K	760.54	Joback Calculated Property
Cp,gas	641.13	J/mol×K	795.98	Joback Calculated Property
Cp,gas	653.36	J/mol×K	831.41	Joback Calculated Property
Cp,gas	664.53	J/mol×K	866.85	Joback Calculated Property
Cp,gas	674.66	J/mol×K	902.29	Joback Calculated Property
Cp,gas	683.81	J/mol×K	937.73	Joback Calculated Property
η	[0.0000622; 0.0012357]	Pa×s	[414.75; 725.10]
η	0.0012357	Pa×s	414.75	Joback Calculated Property
η	0.0005697	Pa×s	466.47	Joback Calculated Property
η	0.0003065	Pa×s	518.20	Joback Calculated Property
η	0.0001846	Pa×s	569.92	Joback Calculated Property
η	0.0001209	Pa×s	621.65	Joback Calculated Property
η	0.0000845	Pa×s	673.38	Joback Calculated Property
η	0.0000622	Pa×s	725.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorophenyl ethyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.