Chemical Properties of Dimethylmalonic acid, isobutyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C18H26O5/c1-12(2)11-21-16(19)18(5,6)17(20)23-15-10-8-7-9-14(15)22-13(3)4/h7-10,12-13H,11H2,1-6H3

InChI Key

ZQKUTJBHEGEGPX-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CC(C)COC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

322.40

• 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).
• Δ_vapH° : Enthalpy of vaporization 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_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°	31.49	kJ/mol	Joback Calculated Property
ΔvapH°	84.03	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	3.605		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Inp	[1954.00; 1954.00]
Inp	1954.00		NIST
Inp	1954.00		NIST
Tboil	584.20	K	Relay (1.0) Calculated Property
Tfus	306.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[780.63; 859.68]	J/mol×K	[777.85; 985.18]
Cp,gas	780.63	J/mol×K	777.85	Joback Calculated Property
Cp,gas	796.94	J/mol×K	812.41	Joback Calculated Property
Cp,gas	811.97	J/mol×K	846.96	Joback Calculated Property
Cp,gas	825.73	J/mol×K	881.52	Joback Calculated Property
Cp,gas	838.25	J/mol×K	916.07	Joback Calculated Property
Cp,gas	849.56	J/mol×K	950.63	Joback Calculated Property
Cp,gas	859.68	J/mol×K	985.18	Joback Calculated Property
η	[0.0000293; 0.0011601]	Pa×s	[410.87; 777.85]
η	0.0011601	Pa×s	410.87	Joback Calculated Property
η	0.0004222	Pa×s	472.03	Joback Calculated Property
η	0.0001938	Pa×s	533.20	Joback Calculated Property
η	0.0001044	Pa×s	594.36	Joback Calculated Property
η	0.0000631	Pa×s	655.52	Joback Calculated Property
η	0.0000416	Pa×s	716.69	Joback Calculated Property
η	0.0000293	Pa×s	777.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isobutyl 2-isopropoxyphenyl 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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