Chemical Properties of Sebacic acid, 6-ethyloct-3-yl octyl ester

InChI

InChI=1S/C28H54O4/c1-5-9-10-11-16-19-24-31-27(29)20-17-14-12-13-15-18-21-28(30)32-26(8-4)23-22-25(6-2)7-3/h25-26H,5-24H2,1-4H3

InChI Key

OSVNEDACHUXTQI-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OC(CC)CCC(CC)CC

Molecular Weight¹

454.73

• 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	-1253.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.80	kJ/mol	Joback Calculated Property
ΔvapH°	121.52	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.30		Relay (1.0) Calculated Property
logPoct/wat	8.549		Crippen Calculated Property
McVol	420.260	ml/mol	McGowan Calculated Property
Pc	693.25	kPa	Joback Calculated Property
Inp	[3057.00; 3057.00]
Inp	3057.00		NIST
Inp	3057.00		NIST
Tboil	663.31	K	Relay (1.0) Calculated Property
Tc	840.06	K	Relay (1.0) Calculated Property
Tfus	256.22	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	[1475.15; 1579.83]	J/mol×K	[991.74; 1227.53]
Cp,gas	1475.15	J/mol×K	991.74	Joback Calculated Property
Cp,gas	1497.37	J/mol×K	1031.04	Joback Calculated Property
Cp,gas	1517.59	J/mol×K	1070.34	Joback Calculated Property
Cp,gas	1535.87	J/mol×K	1109.64	Joback Calculated Property
Cp,gas	1552.29	J/mol×K	1148.93	Joback Calculated Property
Cp,gas	1566.92	J/mol×K	1188.23	Joback Calculated Property
Cp,gas	1579.83	J/mol×K	1227.53	Joback Calculated Property
η	[0.0000131; 0.0004088]	Pa×s	[519.64; 991.74]
η	0.0004088	Pa×s	519.64	Joback Calculated Property
η	0.0001579	Pa×s	598.32	Joback Calculated Property
η	0.0000761	Pa×s	677.01	Joback Calculated Property
η	0.0000427	Pa×s	755.69	Joback Calculated Property
η	0.0000267	Pa×s	834.37	Joback Calculated Property
η	0.0000181	Pa×s	913.06	Joback Calculated Property
η	0.0000131	Pa×s	991.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 6-ethyloct-3-yl 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.