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

InChI

InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-34-29(32)25-22-19-16-17-20-23-26-30(33)35-28(2)31(3,4)5/h28H,6-27H2,1-5H3

InChI Key

SBSBABVRHXVGHB-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

496.81

• 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	-1313.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.68	kJ/mol	Joback Calculated Property
ΔvapH°	131.57	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.60		Relay (1.0) Calculated Property
logPoct/wat	9.719		Crippen Calculated Property
McVol	462.530	ml/mol	McGowan Calculated Property
Pc	602.21	kPa	Joback Calculated Property
Inp	[3351.00; 3351.00]
Inp	3351.00		NIST
Inp	3351.00		NIST
Tboil	675.25	K	Relay (1.0) Calculated Property
Tc	856.33	K	Relay (1.0) Calculated Property
Tfus	321.55	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	[1670.72; 1784.83]	J/mol×K	[1057.59; 1325.01]
Cp,gas	1670.72	J/mol×K	1057.59	Joback Calculated Property
Cp,gas	1694.98	J/mol×K	1102.16	Joback Calculated Property
Cp,gas	1716.93	J/mol×K	1146.73	Joback Calculated Property
Cp,gas	1736.73	J/mol×K	1191.30	Joback Calculated Property
Cp,gas	1754.54	J/mol×K	1235.87	Joback Calculated Property
Cp,gas	1770.52	J/mol×K	1280.44	Joback Calculated Property
Cp,gas	1784.83	J/mol×K	1325.01	Joback Calculated Property
η	[0.0000066; 0.0002015]	Pa×s	[570.87; 1057.59]
η	0.0002015	Pa×s	570.87	Joback Calculated Property
η	0.0000799	Pa×s	651.99	Joback Calculated Property
η	0.0000389	Pa×s	733.11	Joback Calculated Property
η	0.0000218	Pa×s	814.23	Joback Calculated Property
η	0.0000136	Pa×s	895.35	Joback Calculated Property
η	0.0000092	Pa×s	976.47	Joback Calculated Property
η	0.0000066	Pa×s	1057.59	Joback Calculated Property

Similar Compounds

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