Chemical Properties of Diethyl pimelate (CAS 2050-20-6)

InChI

InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3

InChI Key

LKKOGZVQGQUVHF-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

CCOC(=O)CCCCCC(=O)OCC

Molecular Weight¹

216.27

CAS

2050-20-6

Other Names

• 1,5-Pentanedicarboxylic acid diethyl ester
• Pimelic acid diethyl ester
• Heptanedioic 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_boilr : Boiling point at reduced pressure (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	0.7199		Relay (1.0) Calculated Property
ΔfG°	-579.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-906.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.98	kJ/mol	Joback Calculated Property
ΔvapH°	75.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-2.31		Relay (1.0) Calculated Property
logPoct/wat	2.063		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Pc	1950.95	kPa	Joback Calculated Property
Inp	[1453.00; 1480.00]
Inp	1453.00		NIST
Inp	1480.00		NIST
Inp	1480.00		NIST
Tboil	530.17	K	Relay (1.0) Calculated Property
Tc	697.37	K	Relay (1.0) Calculated Property
Tfus	252.80 ± 0.60	K	NIST
Vc	0.706	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[453.72; 530.43]	J/mol×K	[567.72; 741.32]
Cp,gas	453.72	J/mol×K	567.72	Joback Calculated Property
Cp,gas	468.08	J/mol×K	596.65	Joback Calculated Property
Cp,gas	481.80	J/mol×K	625.59	Joback Calculated Property
Cp,gas	494.90	J/mol×K	654.52	Joback Calculated Property
Cp,gas	507.37	J/mol×K	683.45	Joback Calculated Property
Cp,gas	519.21	J/mol×K	712.39	Joback Calculated Property
Cp,gas	530.43	J/mol×K	741.32	Joback Calculated Property
η	[0.0001442; 0.0042334]	Pa×s	[298.39; 567.72]
η	0.0042334	Pa×s	298.39	Joback Calculated Property
η	0.0016678	Pa×s	343.28	Joback Calculated Property
η	0.0008150	Pa×s	388.17	Joback Calculated Property
η	0.0004620	Pa×s	433.06	Joback Calculated Property
η	0.0002914	Pa×s	477.94	Joback Calculated Property
η	0.0001989	Pa×s	522.83	Joback Calculated Property
η	0.0001442	Pa×s	567.72	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Diethyl pimelate.

Sources

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

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