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

InChI

InChI=1S/C23H36O4/c1-8-13-19(17(6)7)26-21(24)23(9-2,10-3)22(25)27-20-15-12-11-14-18(20)16(4)5/h11-12,14-17,19H,8-10,13H2,1-7H3

InChI Key

IISMGNKGGVHUQB-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCC(OC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C)C(C)C

Molecular Weight¹

376.54

• 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).
• 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
ΔfusH°	39.73	kJ/mol	Joback Calculated Property
log10WS	-5.30		Relay (1.0) Calculated Property
logPoct/wat	5.890		Crippen Calculated Property
McVol	326.050	ml/mol	McGowan Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tfus	302.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[1045.24; 1129.26]	J/mol×K	[869.39; 1076.19]
Cp,gas	1045.24	J/mol×K	869.39	Joback Calculated Property
Cp,gas	1062.56	J/mol×K	903.86	Joback Calculated Property
Cp,gas	1078.49	J/mol×K	938.32	Joback Calculated Property
Cp,gas	1093.06	J/mol×K	972.79	Joback Calculated Property
Cp,gas	1106.35	J/mol×K	1007.26	Joback Calculated Property
Cp,gas	1118.39	J/mol×K	1041.73	Joback Calculated Property
Cp,gas	1129.26	J/mol×K	1076.19	Joback Calculated Property
η	[0.0000164; 0.0011194]	Pa×s	[429.99; 869.39]
η	0.0011194	Pa×s	429.99	Joback Calculated Property
η	0.0003319	Pa×s	503.22	Joback Calculated Property
η	0.0001340	Pa×s	576.46	Joback Calculated Property
η	0.0000664	Pa×s	649.69	Joback Calculated Property
η	0.0000379	Pa×s	722.92	Joback Calculated Property
η	0.0000240	Pa×s	796.16	Joback Calculated Property
η	0.0000164	Pa×s	869.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-isopropylphenyl 2-methylhex-3-yl 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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