Chemical Properties of Diethylmalonic acid, isobutyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H30O5/c1-7-20(8-2,18(21)23-13-14(3)4)19(22)25-17-12-10-9-11-16(17)24-15(5)6/h9-12,14-15H,7-8,13H2,1-6H3

InChI Key

QASONLRWBYCTRL-UHFFFAOYSA-N

Formula

C20H30O5

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

350.45

• 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_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°	36.67	kJ/mol	Joback Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	4.385		Crippen Calculated Property
McVol	289.650	ml/mol	McGowan Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		NIST
Tboil	607.91	K	Relay (1.0) Calculated Property
Tfus	323.95	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 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	[896.12; 975.20]	J/mol×K	[823.61; 1028.74]
Cp,gas	896.12	J/mol×K	823.61	Joback Calculated Property
Cp,gas	912.54	J/mol×K	857.80	Joback Calculated Property
Cp,gas	927.63	J/mol×K	891.99	Joback Calculated Property
Cp,gas	941.41	J/mol×K	926.17	Joback Calculated Property
Cp,gas	953.91	J/mol×K	960.36	Joback Calculated Property
Cp,gas	965.16	J/mol×K	994.55	Joback Calculated Property
Cp,gas	975.20	J/mol×K	1028.74	Joback Calculated Property
η	[0.0000213; 0.0008718]	Pa×s	[433.41; 823.61]
η	0.0008718	Pa×s	433.41	Joback Calculated Property
η	0.0003139	Pa×s	498.44	Joback Calculated Property
η	0.0001430	Pa×s	563.48	Joback Calculated Property
η	0.0000767	Pa×s	628.51	Joback Calculated Property
η	0.0000462	Pa×s	693.54	Joback Calculated Property
η	0.0000304	Pa×s	758.58	Joback Calculated Property
η	0.0000213	Pa×s	823.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic 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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