Chemical Properties of Diethylmalonic acid, 2-methylhex-3-yl 3-phenylpropyl ester

InChI

InChI=1S/C23H36O4/c1-6-13-20(18(4)5)27-22(25)23(7-2,8-3)21(24)26-17-12-16-19-14-10-9-11-15-19/h9-11,14-15,18,20H,6-8,12-13,16-17H2,1-5H3

InChI Key

JCJIRWUYRDZZRU-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCC(OC(=O)C(CC)(CC)C(=O)OCCCc1ccccc1)C(C)C

Molecular Weight¹

376.53

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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°	40.48	kJ/mol	Joback Calculated Property
logPoct/wat	5.337		Crippen Calculated Property
McVol	326.050	ml/mol	McGowan Calculated Property
Inp	[2375.00; 2375.00]
Inp	2375.00		NIST
Inp	2375.00		NIST
Tboil	646.99	K	Relay (1.0) Calculated Property
Tfus	290.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1059.90; 1144.04]	J/mol×K	[900.79; 1110.53]
Cp,gas	1059.90	J/mol×K	900.79	Joback Calculated Property
Cp,gas	1076.96	J/mol×K	935.75	Joback Calculated Property
Cp,gas	1092.72	J/mol×K	970.70	Joback Calculated Property
Cp,gas	1107.25	J/mol×K	1005.66	Joback Calculated Property
Cp,gas	1120.61	J/mol×K	1040.62	Joback Calculated Property
Cp,gas	1132.85	J/mol×K	1075.57	Joback Calculated Property
Cp,gas	1144.04	J/mol×K	1110.53	Joback Calculated Property
η	[0.0000227; 0.0006055]	Pa×s	[492.13; 900.79]
η	0.0006055	Pa×s	492.13	Joback Calculated Property
η	0.0002511	Pa×s	560.24	Joback Calculated Property
η	0.0001261	Pa×s	628.35	Joback Calculated Property
η	0.0000724	Pa×s	696.46	Joback Calculated Property
η	0.0000459	Pa×s	764.57	Joback Calculated Property
η	0.0000314	Pa×s	832.68	Joback Calculated Property
η	0.0000227	Pa×s	900.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-methylhex-3-yl 3-phenylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.