Chemical Properties of Diethylmalonic acid, isobutyl 2-methylpentyl ester

InChI

InChI=1S/C17H32O4/c1-7-10-14(6)12-21-16(19)17(8-2,9-3)15(18)20-11-13(4)5/h13-14H,7-12H2,1-6H3

InChI Key

HHHXQGFRNOAWSK-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCC(C)COC(=O)C(CC)(CC)C(=O)OCC(C)C

Molecular Weight¹

300.43

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	0.7503		Relay (1.0) Calculated Property
ΔfG°	-377.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1030.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.90	kJ/mol	Joback Calculated Property
ΔvapH°	77.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.971		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Pc	1348.67	kPa	Joback Calculated Property
Inp	[1647.00; 1647.00]
Inp	1647.00		NIST
Inp	1647.00		NIST
Tboil	564.30	K	Relay (1.0) Calculated Property
Tc	738.54	K	Relay (1.0) Calculated Property
Tfus	251.72	K	Relay (1.0) Calculated Property
Vc	0.967	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.82; 885.36]	J/mol×K	[736.83; 922.80]
Cp,gas	793.82	J/mol×K	736.83	Joback Calculated Property
Cp,gas	811.45	J/mol×K	767.82	Joback Calculated Property
Cp,gas	828.10	J/mol×K	798.82	Joback Calculated Property
Cp,gas	843.79	J/mol×K	829.81	Joback Calculated Property
Cp,gas	858.54	J/mol×K	860.81	Joback Calculated Property
Cp,gas	872.39	J/mol×K	891.80	Joback Calculated Property
Cp,gas	885.36	J/mol×K	922.80	Joback Calculated Property
η	[0.0000570; 0.0017460]	Pa×s	[398.09; 736.83]
η	0.0017460	Pa×s	398.09	Joback Calculated Property
η	0.0006925	Pa×s	454.55	Joback Calculated Property
η	0.0003369	Pa×s	511.00	Joback Calculated Property
η	0.0001892	Pa×s	567.46	Joback Calculated Property
η	0.0001179	Pa×s	623.92	Joback Calculated Property
η	0.0000795	Pa×s	680.37	Joback Calculated Property
η	0.0000570	Pa×s	736.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 2-methylpentyl ester.

Sources

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

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