Chemical Properties of Dimethylmalonic acid, 2-isopropoxyphenyl propyl ester

InChI

InChI=1S/C17H24O5/c1-6-11-20-15(18)17(4,5)16(19)22-14-10-8-7-9-13(14)21-12(2)3/h7-10,12H,6,11H2,1-5H3

InChI Key

YQLZNIGRZGYMNG-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

CCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

308.37

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.43	kJ/mol	Joback Calculated Property
ΔvapH°	82.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	3.359		Crippen Calculated Property
McVol	247.380	ml/mol	McGowan Calculated Property
Inp	[1901.00; 1901.00]
Inp	1901.00		NIST
Inp	1901.00		NIST
Tfus	292.55	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, 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	[723.64; 801.57]	J/mol×K	[755.41; 961.59]
Cp,gas	723.64	J/mol×K	755.41	Joback Calculated Property
Cp,gas	739.60	J/mol×K	789.77	Joback Calculated Property
Cp,gas	754.35	J/mol×K	824.14	Joback Calculated Property
Cp,gas	767.89	J/mol×K	858.50	Joback Calculated Property
Cp,gas	780.26	J/mol×K	892.86	Joback Calculated Property
Cp,gas	791.48	J/mol×K	927.23	Joback Calculated Property
Cp,gas	801.57	J/mol×K	961.59	Joback Calculated Property
η	[0.0000370; 0.0010497]	Pa×s	[414.60; 755.41]
η	0.0010497	Pa×s	414.60	Joback Calculated Property
η	0.0004297	Pa×s	471.40	Joback Calculated Property
η	0.0002132	Pa×s	528.20	Joback Calculated Property
η	0.0001212	Pa×s	585.00	Joback Calculated Property
η	0.0000761	Pa×s	641.81	Joback Calculated Property
η	0.0000516	Pa×s	698.61	Joback Calculated Property
η	0.0000370	Pa×s	755.41	Joback Calculated Property

Similar Compounds

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