Chemical Properties of Diethylmalonic acid, 3-methylbenzyl octyl ester

InChI

InChI=1S/C23H36O4/c1-5-8-9-10-11-12-16-26-21(24)23(6-2,7-3)22(25)27-18-20-15-13-14-19(4)17-20/h13-15,17H,5-12,16,18H2,1-4H3

InChI Key

XCXNFKMCHMFASS-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(C)c1

Molecular Weight¹

376.53

• 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°	50.30	kJ/mol	Joback Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	5.748		Crippen Calculated Property
McVol	326.050	ml/mol	McGowan Calculated Property
Pc	1053.46	kPa	Joback Calculated Property
Inp	[2446.00; 2446.00]
Inp	2446.00		NIST
Inp	2446.00		NIST
Tboil	641.81	K	Relay (1.0) Calculated Property
Tfus	278.63	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	[1043.78; 1127.18]	J/mol×K	[870.71; 1072.96]
Cp,gas	1043.78	J/mol×K	870.71	Joback Calculated Property
Cp,gas	1060.78	J/mol×K	904.42	Joback Calculated Property
Cp,gas	1076.47	J/mol×K	938.13	Joback Calculated Property
Cp,gas	1090.90	J/mol×K	971.83	Joback Calculated Property
Cp,gas	1104.13	J/mol×K	1005.54	Joback Calculated Property
Cp,gas	1116.21	J/mol×K	1039.25	Joback Calculated Property
Cp,gas	1127.18	J/mol×K	1072.96	Joback Calculated Property
η	[0.0000214; 0.0005972]	Pa×s	[474.99; 870.71]
η	0.0005972	Pa×s	474.99	Joback Calculated Property
η	0.0002446	Pa×s	540.94	Joback Calculated Property
η	0.0001216	Pa×s	606.90	Joback Calculated Property
η	0.0000693	Pa×s	672.85	Joback Calculated Property
η	0.0000437	Pa×s	738.80	Joback Calculated Property
η	0.0000297	Pa×s	804.76	Joback Calculated Property
η	0.0000214	Pa×s	870.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methylbenzyl octyl 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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