Chemical Properties of Diethylmalonic acid, 2-ethylphenyl pentadecyl ester

InChI

InChI=1S/C30H50O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-22-25-33-28(31)30(7-3,8-4)29(32)34-27-24-21-20-23-26(27)6-2/h20-21,23-24H,5-19,22,25H2,1-4H3

InChI Key

YUVYYBUEEGATFG-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

474.72

• 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°	68.43	kJ/mol	Joback Calculated Property
log10WS	-7.76		Relay (1.0) Calculated Property
logPoct/wat	8.595		Crippen Calculated Property
McVol	424.680	ml/mol	McGowan Calculated Property
Pc	709.97	kPa	Joback Calculated Property
Inp	[3127.00; 3127.00]
Inp	3127.00		NIST
Inp	3127.00		NIST
Tboil	681.05	K	Relay (1.0) Calculated Property
Tfus	300.59	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	[1479.06; 1565.89]	J/mol×K	[1030.87; 1267.57]
Cp,gas	1479.06	J/mol×K	1030.87	Joback Calculated Property
Cp,gas	1497.66	J/mol×K	1070.32	Joback Calculated Property
Cp,gas	1514.46	J/mol×K	1109.77	Joback Calculated Property
Cp,gas	1529.57	J/mol×K	1149.22	Joback Calculated Property
Cp,gas	1543.10	J/mol×K	1188.67	Joback Calculated Property
Cp,gas	1555.17	J/mol×K	1228.12	Joback Calculated Property
Cp,gas	1565.89	J/mol×K	1267.57	Joback Calculated Property
η	[0.0000068; 0.0002166]	Pa×s	[553.88; 1030.87]
η	0.0002166	Pa×s	553.88	Joback Calculated Property
η	0.0000848	Pa×s	633.38	Joback Calculated Property
η	0.0000409	Pa×s	712.88	Joback Calculated Property
η	0.0000229	Pa×s	792.38	Joback Calculated Property
η	0.0000142	Pa×s	871.87	Joback Calculated Property
η	0.0000096	Pa×s	951.37	Joback Calculated Property
η	0.0000068	Pa×s	1030.87	Joback Calculated Property

Similar Compounds

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