Chemical Properties of Pimelic acid, di(2-ethylhexyl) ester

InChI

InChI=1S/C23H44O4/c1-5-9-14-20(7-3)18-26-22(24)16-12-11-13-17-23(25)27-19-21(8-4)15-10-6-2/h20-21H,5-19H2,1-4H3

InChI Key

FPUZLBVWHHRQAA-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCC(CC)COC(=O)CCCCCC(=O)OCC(CC)CCCC

Molecular Weight¹

384.59

Other Names

• di-(2-Ethylhexyl)pimelate

• 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	1.0493		Relay (1.0) Calculated Property
ΔfH°gas	-1161.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.02	kJ/mol	Joback Calculated Property
ΔvapH°	104.93	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	6.456		Crippen Calculated Property
McVol	349.810	ml/mol	McGowan Calculated Property
Pc	865.05	kPa	Joback Calculated Property
Inp	[2460.00; 2517.00]
Inp	2517.00		NIST
Inp	2460.00		NIST
Inp	2460.00		NIST
Inp	2517.00		NIST
Tboil	633.55	K	Relay (1.0) Calculated Property
Tc	803.00	K	Relay (1.0) Calculated Property
Tfus	213.83	K	Relay (1.0) Calculated Property
Vc	1.311	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	[1137.08; 1236.13]	J/mol×K	[841.40; 1030.34]
Cp,gas	1137.08	J/mol×K	841.40	Joback Calculated Property
Cp,gas	1156.77	J/mol×K	872.89	Joback Calculated Property
Cp,gas	1175.14	J/mol×K	904.38	Joback Calculated Property
Cp,gas	1192.24	J/mol×K	935.87	Joback Calculated Property
Cp,gas	1208.08	J/mol×K	967.36	Joback Calculated Property
Cp,gas	1222.70	J/mol×K	998.85	Joback Calculated Property
Cp,gas	1236.13	J/mol×K	1030.34	Joback Calculated Property
η	[0.0000223; 0.0016357]	Pa×s	[403.63; 841.40]
η	0.0016357	Pa×s	403.63	Joback Calculated Property
η	0.0004624	Pa×s	476.59	Joback Calculated Property
η	0.0001828	Pa×s	549.55	Joback Calculated Property
η	0.0000898	Pa×s	622.52	Joback Calculated Property
η	0.0000512	Pa×s	695.48	Joback Calculated Property
η	0.0000325	Pa×s	768.44	Joback Calculated Property
η	0.0000223	Pa×s	841.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, di(2-ethylhexyl) ester.

Sources

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

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