Chemical Properties of Diethylmalonic acid, heptadecyl 3-methylphenyl ester

InChI

InChI=1S/C31H52O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-29(32)31(6-2,7-3)30(33)35-28-24-22-23-27(4)26-28/h22-24,26H,5-21,25H2,1-4H3

InChI Key

XWMBFTLXJVNJQH-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1

Molecular Weight¹

488.74

• 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).
• 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°	71.02	kJ/mol	Joback Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-8.34		Relay (1.0) Calculated Property
logPoct/wat	9.121		Crippen Calculated Property
McVol	438.770	ml/mol	McGowan Calculated Property
Pc	675.00	kPa	Joback Calculated Property
Inp	[3255.00; 3255.00]
Inp	3255.00		NIST
Inp	3255.00		NIST
Tboil	699.10	K	Relay (1.0) Calculated Property
Tfus	314.47	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 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	[1542.79; 1630.53]	J/mol×K	[1053.75; 1299.87]
Cp,gas	1542.79	J/mol×K	1053.75	Joback Calculated Property
Cp,gas	1561.79	J/mol×K	1094.77	Joback Calculated Property
Cp,gas	1578.86	J/mol×K	1135.79	Joback Calculated Property
Cp,gas	1594.14	J/mol×K	1176.81	Joback Calculated Property
Cp,gas	1607.76	J/mol×K	1217.83	Joback Calculated Property
Cp,gas	1619.84	J/mol×K	1258.85	Joback Calculated Property
Cp,gas	1630.53	J/mol×K	1299.87	Joback Calculated Property
η	[0.0000058; 0.0001860]	Pa×s	[565.15; 1053.75]
η	0.0001860	Pa×s	565.15	Joback Calculated Property
η	0.0000724	Pa×s	646.58	Joback Calculated Property
η	0.0000348	Pa×s	728.02	Joback Calculated Property
η	0.0000194	Pa×s	809.45	Joback Calculated Property
η	0.0000120	Pa×s	890.88	Joback Calculated Property
η	0.0000081	Pa×s	972.32	Joback Calculated Property
η	0.0000058	Pa×s	1053.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptadecyl 3-methylphenyl 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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