Chemical Properties of Diethylmalonic acid, 2-ethylphenyl heptyl ester

InChI

InChI=1S/C22H34O4/c1-5-9-10-11-14-17-25-20(23)22(7-3,8-4)21(24)26-19-16-13-12-15-18(19)6-2/h12-13,15-16H,5-11,14,17H2,1-4H3

InChI Key

BFUCFBPDOJOTSJ-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

362.51

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.55	kJ/mol	Joback Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	5.474		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Pc	1186.60	kPa	Joback Calculated Property
Inp	[2303.00; 2303.00]
Inp	2303.00		NIST
Inp	2303.00		NIST
Tboil	625.49	K	Relay (1.0) Calculated Property
Tfus	293.89	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, 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	[997.84; 1080.45]	J/mol×K	[883.77; 1090.17]
Cp,gas	997.84	J/mol×K	883.77	Joback Calculated Property
Cp,gas	1014.47	J/mol×K	918.17	Joback Calculated Property
Cp,gas	1029.90	J/mol×K	952.57	Joback Calculated Property
Cp,gas	1044.16	J/mol×K	986.97	Joback Calculated Property
Cp,gas	1057.31	J/mol×K	1021.37	Joback Calculated Property
Cp,gas	1069.39	J/mol×K	1055.77	Joback Calculated Property
Cp,gas	1080.45	J/mol×K	1090.17	Joback Calculated Property
η	[0.0000322; 0.0004346]	Pa×s	[523.38; 883.77]
η	0.0004346	Pa×s	523.38	Joback Calculated Property
η	0.0002253	Pa×s	583.44	Joback Calculated Property
η	0.0001320	Pa×s	643.51	Joback Calculated Property
η	0.0000847	Pa×s	703.57	Joback Calculated Property
η	0.0000583	Pa×s	763.64	Joback Calculated Property
η	0.0000424	Pa×s	823.70	Joback Calculated Property
η	0.0000322	Pa×s	883.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-ethylphenyl heptyl 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.