Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl propyl ester

InChI

InChI=1S/C17H23ClO4/c1-4-10-21-15(19)17(5-2,6-3)16(20)22-12-13-8-7-9-14(18)11-13/h7-9,11H,4-6,10,12H2,1-3H3

InChI Key

IAACNAUBBBRQRJ-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

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

Molecular Weight¹

326.82

• 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).
• 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°	38.96	kJ/mol	Joback Calculated Property
logPoct/wat	4.143		Crippen Calculated Property
McVol	253.750	ml/mol	McGowan Calculated Property
Inp	[2074.00; 2074.00]
Inp	2074.00		NIST
Inp	2074.00		NIST
Tboil	611.84	K	Relay (1.0) Calculated Property
Tfus	281.51	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, Ionization energy, 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	[722.70; 795.44]	J/mol×K	[770.86; 978.75]
Cp,gas	722.70	J/mol×K	770.86	Joback Calculated Property
Cp,gas	737.60	J/mol×K	805.51	Joback Calculated Property
Cp,gas	751.34	J/mol×K	840.16	Joback Calculated Property
Cp,gas	763.95	J/mol×K	874.80	Joback Calculated Property
Cp,gas	775.48	J/mol×K	909.45	Joback Calculated Property
Cp,gas	785.96	J/mol×K	944.10	Joback Calculated Property
Cp,gas	795.44	J/mol×K	978.75	Joback Calculated Property
η	[0.0000460; 0.0009744]	Pa×s	[437.29; 770.86]
η	0.0009744	Pa×s	437.29	Joback Calculated Property
η	0.0004398	Pa×s	492.88	Joback Calculated Property
η	0.0002332	Pa×s	548.48	Joback Calculated Property
η	0.0001390	Pa×s	604.07	Joback Calculated Property
η	0.0000904	Pa×s	659.67	Joback Calculated Property
η	0.0000628	Pa×s	715.26	Joback Calculated Property
η	0.0000460	Pa×s	770.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl propyl 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.