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

InChI

InChI=1S/C25H48O6/c1-5-7-12-22(16-18-28-3)20-30-24(26)14-10-9-11-15-25(27)31-21-23(13-8-6-2)17-19-29-4/h22-23H,5-21H2,1-4H3

InChI Key

WVBXPEDPLDLCJD-UHFFFAOYSA-N

Formula

C25H48O6

SMILES

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

Molecular Weight¹

444.64

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1417.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.41	kJ/mol	Joback Calculated Property
ΔvapH°	113.66	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	5.709		Crippen Calculated Property
McVol	389.730	ml/mol	McGowan Calculated Property
Pc	796.18	kPa	Joback Calculated Property
Inp	[2861.00; 2861.00]
Inp	2861.00		NIST
Inp	2861.00		NIST
Tboil	671.64	K	Relay (1.0) Calculated Property
Tc	831.31	K	Relay (1.0) Calculated Property
Tfus	234.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[1345.33; 1432.90]	J/mol×K	[967.94; 1192.43]
Cp,gas	1345.33	J/mol×K	967.94	Joback Calculated Property
Cp,gas	1364.89	J/mol×K	1005.36	Joback Calculated Property
Cp,gas	1382.45	J/mol×K	1042.77	Joback Calculated Property
Cp,gas	1398.01	J/mol×K	1080.19	Joback Calculated Property
Cp,gas	1411.59	J/mol×K	1117.60	Joback Calculated Property
Cp,gas	1423.22	J/mol×K	1155.02	Joback Calculated Property
Cp,gas	1432.90	J/mol×K	1192.43	Joback Calculated Property
η	[0.0000113; 0.0002700]	Pa×s	[530.29; 967.94]
η	0.0002700	Pa×s	530.29	Joback Calculated Property
η	0.0001156	Pa×s	603.23	Joback Calculated Property
η	0.0000594	Pa×s	676.17	Joback Calculated Property
η	0.0000348	Pa×s	749.12	Joback Calculated Property
η	0.0000224	Pa×s	822.06	Joback Calculated Property
η	0.0000155	Pa×s	895.00	Joback Calculated Property
η	0.0000113	Pa×s	967.94	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.