Chemical Properties of Diethylmalonic acid, 2-formylphenyl tetradecyl ester

InChI

InChI=1S/C28H44O5/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)28(5-2,6-3)27(31)33-25-21-18-17-20-24(25)23-29/h17-18,20-21,23H,4-16,19,22H2,1-3H3

InChI Key

LORJISMCQZIGHO-UHFFFAOYSA-N

Formula

C28H44O5

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C=O

Molecular Weight¹

460.65

• 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°	65.54	kJ/mol	Joback Calculated Property
log10WS	-6.91		Relay (1.0) Calculated Property
logPoct/wat	7.455		Crippen Calculated Property
McVol	398.070	ml/mol	McGowan Calculated Property
Pc	822.42	kPa	Joback Calculated Property
Inp	[3178.00; 3178.00]
Inp	3178.00		NIST
Inp	3178.00		NIST
Tboil	685.85	K	Relay (1.0) Calculated Property
Tfus	308.66	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	[1366.05; 1439.50]	J/mol×K	[1033.77; 1268.84]
Cp,gas	1366.05	J/mol×K	1033.77	Joback Calculated Property
Cp,gas	1382.13	J/mol×K	1072.95	Joback Calculated Property
Cp,gas	1396.54	J/mol×K	1112.13	Joback Calculated Property
Cp,gas	1409.38	J/mol×K	1151.31	Joback Calculated Property
Cp,gas	1420.75	J/mol×K	1190.48	Joback Calculated Property
Cp,gas	1430.76	J/mol×K	1229.66	Joback Calculated Property
Cp,gas	1439.50	J/mol×K	1268.84	Joback Calculated Property
η	[0.0000099; 0.0002462]	Pa×s	[573.34; 1033.77]
η	0.0002462	Pa×s	573.34	Joback Calculated Property
η	0.0001049	Pa×s	650.08	Joback Calculated Property
η	0.0000535	Pa×s	726.82	Joback Calculated Property
η	0.0000311	Pa×s	803.55	Joback Calculated Property
η	0.0000198	Pa×s	880.29	Joback Calculated Property
η	0.0000136	Pa×s	957.03	Joback Calculated Property
η	0.0000099	Pa×s	1033.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-formylphenyl tetradecyl 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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