Chemical Properties of Diethylmalonic acid, dodecyl 3-methylphenyl ester

InChI

InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-14-15-16-20-29-24(27)26(6-2,7-3)25(28)30-23-19-17-18-22(4)21-23/h17-19,21H,5-16,20H2,1-4H3

InChI Key

HXRLQDURAGKEHQ-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

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

Molecular Weight¹

418.61

• 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°	58.07	kJ/mol	Joback Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-6.92		Relay (1.0) Calculated Property
logPoct/wat	7.171		Crippen Calculated Property
McVol	368.320	ml/mol	McGowan Calculated Property
Pc	881.04	kPa	Joback Calculated Property
Inp	[2730.00; 2730.00]
Inp	2730.00		NIST
Inp	2730.00		NIST
Tboil	665.26	K	Relay (1.0) Calculated Property
Tfus	305.36	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	[1227.59; 1311.99]	J/mol×K	[939.35; 1150.39]
Cp,gas	1227.59	J/mol×K	939.35	Joback Calculated Property
Cp,gas	1245.07	J/mol×K	974.52	Joback Calculated Property
Cp,gas	1261.09	J/mol×K	1009.70	Joback Calculated Property
Cp,gas	1275.73	J/mol×K	1044.87	Joback Calculated Property
Cp,gas	1289.04	J/mol×K	1080.05	Joback Calculated Property
Cp,gas	1301.11	J/mol×K	1115.22	Joback Calculated Property
Cp,gas	1311.99	J/mol×K	1150.39	Joback Calculated Property
η	[0.0000132; 0.0003915]	Pa×s	[508.80; 939.35]
η	0.0003915	Pa×s	508.80	Joback Calculated Property
η	0.0001570	Pa×s	580.56	Joback Calculated Property
η	0.0000770	Pa×s	652.32	Joback Calculated Property
η	0.0000435	Pa×s	724.07	Joback Calculated Property
η	0.0000272	Pa×s	795.83	Joback Calculated Property
η	0.0000184	Pa×s	867.59	Joback Calculated Property
η	0.0000132	Pa×s	939.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 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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