Chemical Properties of Diethyl butylmalonate (CAS 133-08-4)

InChI

InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3

InChI Key

RPNFNBGRHCUORR-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

CCCCC(C(=O)OCC)C(=O)OCC

Molecular Weight¹

216.27

CAS

133-08-4

Other Names

• Malonic acid, butyl-, diethyl ester
• Butylmalonic acid diethyl ester
• Diethyl n-butylmalonate
• Ethyl butylmalonate
• Diethyl normal-butylmalonate
• n-Butylmalonic acid diethyl ester
• Propanedioic acid, butyl-, diethyl ester
• Diethyl 2-butylmalonate
• Butylpropanedioic acid diethyl ester

• 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	0.6278		Relay (1.0) Calculated Property
ΔfG°	-581.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-903.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.46	kJ/mol	Joback Calculated Property
ΔvapH°	71.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-2.48		Relay (1.0) Calculated Property
logPoct/wat	1.919		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[1323.00; 1323.00]
Inp	1323.00		NIST
Inp	1323.00		NIST
Tboil	[510.70; 511.00]	K
Tboil	510.70	K	NIST
Tboil	511.00 ± 6.00	K	NIST
Tc	685.00	K	Relay (1.0) Calculated Property
Tfus	213.72	K	Relay (1.0) Calculated Property
Vc	0.674	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.05; 532.18]	J/mol×K	[567.28; 744.00]
Cp,gas	454.05	J/mol×K	567.28	Joback Calculated Property
Cp,gas	468.72	J/mol×K	596.73	Joback Calculated Property
Cp,gas	482.73	J/mol×K	626.19	Joback Calculated Property
Cp,gas	496.07	J/mol×K	655.64	Joback Calculated Property
Cp,gas	508.77	J/mol×K	685.09	Joback Calculated Property
Cp,gas	520.80	J/mol×K	714.55	Joback Calculated Property
Cp,gas	532.18	J/mol×K	744.00	Joback Calculated Property
η	[0.0001352; 0.0061690]	Pa×s	[283.39; 567.28]
η	0.0061690	Pa×s	283.39	Joback Calculated Property
η	0.0020694	Pa×s	330.70	Joback Calculated Property
η	0.0009125	Pa×s	378.02	Joback Calculated Property
η	0.0004828	Pa×s	425.33	Joback Calculated Property
η	0.0002901	Pa×s	472.65	Joback Calculated Property
η	0.0001913	Pa×s	519.96	Joback Calculated Property
η	0.0001352	Pa×s	567.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethyl butylmalonate.

Sources

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

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