Chemical Properties of Diethylmalonic acid, 3-methylbenzyl tetradecyl ester

InChI

InChI=1S/C29H48O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)29(6-2,7-3)28(31)33-24-26-21-19-20-25(4)23-26/h19-21,23H,5-18,22,24H2,1-4H3

InChI Key

UWGKKBVKBSLIJR-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

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

Molecular Weight¹

460.69

• 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°	65.84	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-7.44		Relay (1.0) Calculated Property
logPoct/wat	8.089		Crippen Calculated Property
McVol	410.590	ml/mol	McGowan Calculated Property
Pc	747.74	kPa	Joback Calculated Property
Inp	[3048.00; 3048.00]
Inp	3048.00		NIST
Inp	3048.00		NIST
Tboil	683.46	K	Relay (1.0) Calculated Property
Tfus	287.98	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	[1415.64; 1501.69]	J/mol×K	[1007.99; 1236.56]
Cp,gas	1415.64	J/mol×K	1007.99	Joback Calculated Property
Cp,gas	1433.89	J/mol×K	1046.08	Joback Calculated Property
Cp,gas	1450.45	J/mol×K	1084.18	Joback Calculated Property
Cp,gas	1465.42	J/mol×K	1122.27	Joback Calculated Property
Cp,gas	1478.88	J/mol×K	1160.37	Joback Calculated Property
Cp,gas	1490.94	J/mol×K	1198.46	Joback Calculated Property
Cp,gas	1501.69	J/mol×K	1236.56	Joback Calculated Property
η	[0.0000081; 0.0002518]	Pa×s	[542.61; 1007.99]
η	0.0002518	Pa×s	542.61	Joback Calculated Property
η	0.0000992	Pa×s	620.17	Joback Calculated Property
η	0.0000480	Pa×s	697.74	Joback Calculated Property
η	0.0000269	Pa×s	775.30	Joback Calculated Property
η	0.0000167	Pa×s	852.86	Joback Calculated Property
η	0.0000113	Pa×s	930.43	Joback Calculated Property
η	0.0000081	Pa×s	1007.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methylbenzyl tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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