Chemical Properties of Diethylmalonic acid, 1-naphthyl undecyl ester

InChI

InChI=1S/C28H40O4/c1-4-7-8-9-10-11-12-13-16-22-31-26(29)28(5-2,6-3)27(30)32-25-21-17-19-23-18-14-15-20-24(23)25/h14-15,17-21H,4-13,16,22H2,1-3H3

InChI Key

AONXADHJLHVCBZ-UHFFFAOYSA-N

Formula

C28H40O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc2ccccc12

Molecular Weight¹

440.61

• 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°	60.27	kJ/mol	Joback Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-7.16		Relay (1.0) Calculated Property
logPoct/wat	7.626		Crippen Calculated Property
McVol	377.040	ml/mol	McGowan Calculated Property
Pc	909.43	kPa	Joback Calculated Property
Inp	[3114.00; 3114.00]
Inp	3114.00		NIST
Inp	3114.00		NIST
Tboil	709.13	K	Relay (1.0) Calculated Property
Tfus	326.05	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	[1271.07; 1352.04]	J/mol×K	[1004.09; 1229.44]
Cp,gas	1271.07	J/mol×K	1004.09	Joback Calculated Property
Cp,gas	1287.38	J/mol×K	1041.65	Joback Calculated Property
Cp,gas	1302.41	J/mol×K	1079.21	Joback Calculated Property
Cp,gas	1316.28	J/mol×K	1116.77	Joback Calculated Property
Cp,gas	1329.10	J/mol×K	1154.33	Joback Calculated Property
Cp,gas	1340.98	J/mol×K	1191.89	Joback Calculated Property
Cp,gas	1352.04	J/mol×K	1229.44	Joback Calculated Property
η	[0.0000199; 0.0003395]	Pa×s	[564.04; 1004.09]
η	0.0003395	Pa×s	564.04	Joback Calculated Property
η	0.0001612	Pa×s	637.38	Joback Calculated Property
η	0.0000892	Pa×s	710.72	Joback Calculated Property
η	0.0000552	Pa×s	784.07	Joback Calculated Property
η	0.0000371	Pa×s	857.41	Joback Calculated Property
η	0.0000265	Pa×s	930.75	Joback Calculated Property
η	0.0000199	Pa×s	1004.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 1-naphthyl undecyl 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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