Chemical Properties of Sebacic acid, 3,3-dimethylbut-2-yl undecyl ester

InChI

InChI=1S/C27H52O4/c1-6-7-8-9-10-11-14-17-20-23-30-25(28)21-18-15-12-13-16-19-22-26(29)31-24(2)27(3,4)5/h24H,6-23H2,1-5H3

InChI Key

JPTJRQDTYYQBFD-UHFFFAOYSA-N

Formula

C27H52O4

SMILES

CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

440.70

• 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	-1234.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.32	kJ/mol	Joback Calculated Property
ΔvapH°	116.00	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.29		Relay (1.0) Calculated Property
logPoct/wat	8.159		Crippen Calculated Property
McVol	406.170	ml/mol	McGowan Calculated Property
Pc	734.03	kPa	Joback Calculated Property
Inp	[2947.00; 2947.00]
Inp	2947.00		NIST
Inp	2947.00		NIST
Tboil	648.66	K	Relay (1.0) Calculated Property
Tc	829.55	K	Relay (1.0) Calculated Property
Tfus	310.46	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	[1409.68; 1514.88]	J/mol×K	[966.07; 1188.14]
Cp,gas	1409.68	J/mol×K	966.07	Joback Calculated Property
Cp,gas	1431.04	J/mol×K	1003.08	Joback Calculated Property
Cp,gas	1450.77	J/mol×K	1040.09	Joback Calculated Property
Cp,gas	1468.94	J/mol×K	1077.10	Joback Calculated Property
Cp,gas	1485.63	J/mol×K	1114.11	Joback Calculated Property
Cp,gas	1500.92	J/mol×K	1151.12	Joback Calculated Property
Cp,gas	1514.88	J/mol×K	1188.14	Joback Calculated Property
η	[0.0000128; 0.0003661]	Pa×s	[525.79; 966.07]
η	0.0003661	Pa×s	525.79	Joback Calculated Property
η	0.0001487	Pa×s	599.17	Joback Calculated Property
η	0.0000735	Pa×s	672.55	Joback Calculated Property
η	0.0000418	Pa×s	745.93	Joback Calculated Property
η	0.0000262	Pa×s	819.31	Joback Calculated Property
η	0.0000178	Pa×s	892.69	Joback Calculated Property
η	0.0000128	Pa×s	966.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3,3-dimethylbut-2-yl undecyl 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.