Chemical Properties of Diethylmalonic acid, di(2-isopropylphenyl) ester

InChI

InChI=1S/C25H32O4/c1-7-25(8-2,23(26)28-21-15-11-9-13-19(21)17(3)4)24(27)29-22-16-12-10-14-20(22)18(5)6/h9-18H,7-8H2,1-6H3

InChI Key

CLZRYZDDEUORKX-UHFFFAOYSA-N

Formula

C25H32O4

SMILES

CCC(CC)(C(=O)Oc1ccccc1C(C)C)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

396.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-687.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.09	kJ/mol	Joback Calculated Property
log10WS	-5.80		Relay (1.0) Calculated Property
logPoct/wat	6.251		Crippen Calculated Property
McVol	330.470	ml/mol	McGowan Calculated Property
Inp	[2485.00; 2485.00]
Inp	2485.00		NIST
Inp	2485.00		NIST
Tfus	370.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[1064.48; 1132.24]	J/mol×K	[947.25; 1174.54]
Cp,gas	1064.48	J/mol×K	947.25	Joback Calculated Property
Cp,gas	1079.33	J/mol×K	985.13	Joback Calculated Property
Cp,gas	1092.64	J/mol×K	1023.01	Joback Calculated Property
Cp,gas	1104.52	J/mol×K	1060.90	Joback Calculated Property
Cp,gas	1115.02	J/mol×K	1098.78	Joback Calculated Property
Cp,gas	1124.23	J/mol×K	1136.66	Joback Calculated Property
Cp,gas	1132.24	J/mol×K	1174.54	Joback Calculated Property
η	[0.0000134; 0.0004111]	Pa×s	[506.47; 947.25]
η	0.0004111	Pa×s	506.47	Joback Calculated Property
η	0.0001620	Pa×s	579.93	Joback Calculated Property
η	0.0000787	Pa×s	653.40	Joback Calculated Property
η	0.0000442	Pa×s	726.86	Joback Calculated Property
η	0.0000276	Pa×s	800.32	Joback Calculated Property
η	0.0000187	Pa×s	873.79	Joback Calculated Property
η	0.0000134	Pa×s	947.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2-isopropylphenyl) 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.
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