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

InChI

InChI=1S/C23H44O5/c1-4-6-8-9-13-18-27-22(24)15-11-10-12-16-23(25)28-20-21(14-7-5-2)17-19-26-3/h21H,4-20H2,1-3H3

InChI Key

SIWCZIWKKBXSCU-UHFFFAOYSA-N

Formula

C23H44O5

SMILES

CCCCCCCOC(=O)CCCCCC(=O)OCC(CCCC)CCOC

Molecular Weight¹

400.59

• 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	-1244.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.56	kJ/mol	Joback Calculated Property
ΔvapH°	107.16	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	5.837		Crippen Calculated Property
McVol	355.680	ml/mol	McGowan Calculated Property
Pc	894.80	kPa	Joback Calculated Property
Inp	[2649.00; 2649.00]
Inp	2649.00		NIST
Inp	2649.00		NIST
Tboil	648.04	K	Relay (1.0) Calculated Property
Tc	813.66	K	Relay (1.0) Calculated Property
Tfus	244.29	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	[1187.09; 1281.58]	J/mol×K	[900.20; 1102.87]
Cp,gas	1187.09	J/mol×K	900.20	Joback Calculated Property
Cp,gas	1206.41	J/mol×K	933.98	Joback Calculated Property
Cp,gas	1224.28	J/mol×K	967.76	Joback Calculated Property
Cp,gas	1240.71	J/mol×K	1001.53	Joback Calculated Property
Cp,gas	1255.73	J/mol×K	1035.31	Joback Calculated Property
Cp,gas	1269.34	J/mol×K	1069.09	Joback Calculated Property
Cp,gas	1281.58	J/mol×K	1102.87	Joback Calculated Property
η	[0.0000231; 0.0004611]	Pa×s	[500.52; 900.20]
η	0.0004611	Pa×s	500.52	Joback Calculated Property
η	0.0002090	Pa×s	567.13	Joback Calculated Property
η	0.0001118	Pa×s	633.75	Joback Calculated Property
η	0.0000674	Pa×s	700.36	Joback Calculated Property
η	0.0000444	Pa×s	766.97	Joback Calculated Property
η	0.0000312	Pa×s	833.59	Joback Calculated Property
η	0.0000231	Pa×s	900.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, heptyl 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.