Chemical Properties of Diethylmalonic acid, 2-acethylphenyl propyl ester

InChI

InChI=1S/C18H24O5/c1-5-12-22-16(20)18(6-2,7-3)17(21)23-15-11-9-8-10-14(15)13(4)19/h8-11H,5-7,12H2,1-4H3

InChI Key

NZENJVLTHZNWNI-UHFFFAOYSA-N

Formula

C18H24O5

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

320.38

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.79	kJ/mol	Joback Calculated Property
log10WS	-3.57		Relay (1.0) Calculated Property
logPoct/wat	3.554		Crippen Calculated Property
McVol	257.170	ml/mol	McGowan Calculated Property
Pc	1657.84	kPa	Joback Calculated Property
Inp	[2111.00; 2111.00]
Inp	2111.00		NIST
Inp	2111.00		NIST
Tboil	611.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[778.83; 847.24]	J/mol×K	[846.12; 1059.46]
Cp,gas	778.83	J/mol×K	846.12	Joback Calculated Property
Cp,gas	792.92	J/mol×K	881.68	Joback Calculated Property
Cp,gas	805.89	J/mol×K	917.23	Joback Calculated Property
Cp,gas	817.77	J/mol×K	952.79	Joback Calculated Property
Cp,gas	828.60	J/mol×K	988.34	Joback Calculated Property
Cp,gas	838.41	J/mol×K	1023.90	Joback Calculated Property
Cp,gas	847.24	J/mol×K	1059.46	Joback Calculated Property
η	[0.0000550; 0.0005394]	Pa×s	[528.23; 846.12]
η	0.0005394	Pa×s	528.23	Joback Calculated Property
η	0.0003099	Pa×s	581.21	Joback Calculated Property
η	0.0001954	Pa×s	634.19	Joback Calculated Property
η	0.0001322	Pa×s	687.17	Joback Calculated Property
η	0.0000946	Pa×s	740.16	Joback Calculated Property
η	0.0000708	Pa×s	793.14	Joback Calculated Property
η	0.0000550	Pa×s	846.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-acethylphenyl propyl 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.