Chemical Properties of Dimethylmalonic acid, butyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C18H26O5/c1-6-7-12-21-16(19)18(4,5)17(20)23-15-11-9-8-10-14(15)22-13(2)3/h8-11,13H,6-7,12H2,1-5H3

InChI Key

WUFPZXQTCWKJOP-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CCCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

322.40

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	0.7999		Relay (1.0) Calculated Property
ΔfH°gas	-940.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.02	kJ/mol	Joback Calculated Property
ΔvapH°	86.85	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.65		Relay (1.0) Calculated Property
logPoct/wat	3.749		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Pc	1467.98	kPa	Joback Calculated Property
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		NIST
Tboil	585.43	K	Relay (1.0) Calculated Property
Tc	806.83	K	Relay (1.0) Calculated Property
Tfus	282.95	K	Relay (1.0) Calculated Property
Vc	0.982	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[780.09; 858.45]	J/mol×K	[778.29; 982.81]
Cp,gas	780.09	J/mol×K	778.29	Joback Calculated Property
Cp,gas	796.18	J/mol×K	812.38	Joback Calculated Property
Cp,gas	811.02	J/mol×K	846.46	Joback Calculated Property
Cp,gas	824.65	J/mol×K	880.55	Joback Calculated Property
Cp,gas	837.08	J/mol×K	914.63	Joback Calculated Property
Cp,gas	848.33	J/mol×K	948.72	Joback Calculated Property
Cp,gas	858.45	J/mol×K	982.81	Joback Calculated Property
η	[0.0000318; 0.0009222]	Pa×s	[425.87; 778.29]
η	0.0009222	Pa×s	425.87	Joback Calculated Property
η	0.0003744	Pa×s	484.61	Joback Calculated Property
η	0.0001847	Pa×s	543.34	Joback Calculated Property
η	0.0001046	Pa×s	602.08	Joback Calculated Property
η	0.0000655	Pa×s	660.82	Joback Calculated Property
η	0.0000443	Pa×s	719.55	Joback Calculated Property
η	0.0000318	Pa×s	778.29	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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