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

• 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°	-368.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.64	kJ/mol	Joback Calculated Property
ΔfusH°	31.85	kJ/mol	Joback Calculated Property
ΔvapH°	77.64	kJ/mol	Joback Calculated Property
log10WS	-4.41		Crippen Calculated Property
logPoct/wat	3.749		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Pc	1564.75	kPa	Joback Calculated Property
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		NIST
Tboil	814.23	K	Joback Calculated Property
Tc	1022.96	K	Joback Calculated Property
Tfus	485.53	K	Joback Calculated Property
Vc	0.985	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[791.91; 868.39]	J/mol×K	[814.23; 1022.96]
Cp,gas	791.91	J/mol×K	814.23	Joback Calculated Property
Cp,gas	807.53	J/mol×K	849.02	Joback Calculated Property
Cp,gas	821.97	J/mol×K	883.81	Joback Calculated Property
Cp,gas	835.26	J/mol×K	918.59	Joback Calculated Property
Cp,gas	847.41	J/mol×K	953.38	Joback Calculated Property
Cp,gas	858.44	J/mol×K	988.17	Joback Calculated Property
Cp,gas	868.39	J/mol×K	1022.96	Joback Calculated Property
η	[0.0000399; 0.0005362]	Pa×s	[485.53; 814.23]
η	0.0005362	Pa×s	485.53	Joback Calculated Property
η	0.0002792	Pa×s	540.31	Joback Calculated Property
η	0.0001640	Pa×s	595.10	Joback Calculated Property
η	0.0001053	Pa×s	649.88	Joback Calculated Property
η	0.0000725	Pa×s	704.66	Joback Calculated Property
η	0.0000526	Pa×s	759.45	Joback Calculated Property
η	0.0000399	Pa×s	814.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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