Chemical Properties of Diethylmalonic acid, 3-methylphenyl tetradecyl ester

InChI

InChI=1S/C28H46O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-22-31-26(29)28(6-2,7-3)27(30)32-25-21-19-20-24(4)23-25/h19-21,23H,5-18,22H2,1-4H3

InChI Key

UEBBGVZDQFRLSO-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

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

Molecular Weight¹

446.66

• 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°	63.25	kJ/mol	Joback Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-7.48		Relay (1.0) Calculated Property
logPoct/wat	7.951		Crippen Calculated Property
McVol	396.500	ml/mol	McGowan Calculated Property
Pc	788.60	kPa	Joback Calculated Property
Inp	[2946.00; 2946.00]
Inp	2946.00		NIST
Inp	2946.00		NIST
Tboil	679.03	K	Relay (1.0) Calculated Property
Tfus	308.87	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	[1352.56; 1437.96]	J/mol×K	[985.11; 1206.75]
Cp,gas	1352.56	J/mol×K	985.11	Joback Calculated Property
Cp,gas	1370.51	J/mol×K	1022.05	Joback Calculated Property
Cp,gas	1386.87	J/mol×K	1058.99	Joback Calculated Property
Cp,gas	1401.70	J/mol×K	1095.93	Joback Calculated Property
Cp,gas	1415.11	J/mol×K	1132.87	Joback Calculated Property
Cp,gas	1427.16	J/mol×K	1169.81	Joback Calculated Property
Cp,gas	1437.96	J/mol×K	1206.75	Joback Calculated Property
η	[0.0000095; 0.0002922]	Pa×s	[531.34; 985.11]
η	0.0002922	Pa×s	531.34	Joback Calculated Property
η	0.0001158	Pa×s	606.97	Joback Calculated Property
η	0.0000563	Pa×s	682.60	Joback Calculated Property
η	0.0000316	Pa×s	758.22	Joback Calculated Property
η	0.0000197	Pa×s	833.85	Joback Calculated Property
η	0.0000133	Pa×s	909.48	Joback Calculated Property
η	0.0000095	Pa×s	985.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methylphenyl 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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