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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-371.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-830.92	kJ/mol	Joback Calculated Property
ΔfusH°	28.33	kJ/mol	Joback Calculated Property
ΔvapH°	77.25	kJ/mol	Joback Calculated Property
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	3.605		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Pc	1574.70	kPa	Joback Calculated Property
Inp	[1954.00; 1954.00]
Inp	1954.00		NIST
Inp	1954.00		NIST
Tboil	813.79	K	Joback Calculated Property
Tc	1025.19	K	Joback Calculated Property
Tfus	470.53	K	Joback Calculated Property
Vc	0.979	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.45; 869.47]	J/mol×K	[813.79; 1025.19]
Cp,gas	792.45	J/mol×K	813.79	Joback Calculated Property
Cp,gas	808.27	J/mol×K	849.02	Joback Calculated Property
Cp,gas	822.86	J/mol×K	884.26	Joback Calculated Property
Cp,gas	836.25	J/mol×K	919.49	Joback Calculated Property
Cp,gas	848.47	J/mol×K	954.72	Joback Calculated Property
Cp,gas	859.53	J/mol×K	989.96	Joback Calculated Property
Cp,gas	869.47	J/mol×K	1025.19	Joback Calculated Property
η	[0.0000366; 0.0006239]	Pa×s	[470.53; 813.79]
η	0.0006239	Pa×s	470.53	Joback Calculated Property
η	0.0003011	Pa×s	527.74	Joback Calculated Property
η	0.0001676	Pa×s	584.95	Joback Calculated Property
η	0.0001035	Pa×s	642.16	Joback Calculated Property
η	0.0000692	Pa×s	699.37	Joback Calculated Property
η	0.0000492	Pa×s	756.58	Joback Calculated Property
η	0.0000366	Pa×s	813.79	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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