Chemical Properties of Sebacic acid, 2-(2-methoxyethyl)heptyl octyl ester

InChI

InChI=1S/C28H54O5/c1-4-6-8-9-14-18-23-32-27(29)20-16-12-10-11-13-17-21-28(30)33-25-26(22-24-31-3)19-15-7-5-2/h26H,4-25H2,1-3H3

InChI Key

VABSLKCCSHBLRL-UHFFFAOYSA-N

Formula

C28H54O5

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(CCCCC)CCOC

Molecular Weight¹

470.73

• 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	-1342.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.52	kJ/mol	Joback Calculated Property
ΔvapH°	125.55	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	7.787		Crippen Calculated Property
McVol	426.130	ml/mol	McGowan Calculated Property
Pc	684.21	kPa	Joback Calculated Property
Inp	[3216.00; 3216.00]
Inp	3216.00		NIST
Inp	3216.00		NIST
Tboil	681.48	K	Relay (1.0) Calculated Property
Tc	847.13	K	Relay (1.0) Calculated Property
Tfus	267.78	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	[1506.22; 1602.91]	J/mol×K	[1014.60; 1263.85]
Cp,gas	1506.22	J/mol×K	1014.60	Joback Calculated Property
Cp,gas	1528.11	J/mol×K	1056.14	Joback Calculated Property
Cp,gas	1547.60	J/mol×K	1097.68	Joback Calculated Property
Cp,gas	1564.77	J/mol×K	1139.22	Joback Calculated Property
Cp,gas	1579.67	J/mol×K	1180.76	Joback Calculated Property
Cp,gas	1592.37	J/mol×K	1222.30	Joback Calculated Property
Cp,gas	1602.91	J/mol×K	1263.85	Joback Calculated Property
η	[0.0000105; 0.0002359]	Pa×s	[556.87; 1014.60]
η	0.0002359	Pa×s	556.87	Joback Calculated Property
η	0.0001027	Pa×s	633.16	Joback Calculated Property
η	0.0000535	Pa×s	709.45	Joback Calculated Property
η	0.0000316	Pa×s	785.73	Joback Calculated Property
η	0.0000205	Pa×s	862.02	Joback Calculated Property
η	0.0000143	Pa×s	938.31	Joback Calculated Property
η	0.0000105	Pa×s	1014.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-(2-methoxyethyl)heptyl octyl 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.