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

InChI

InChI=1S/C32H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-35-30(33)26-23-20-17-18-21-24-27-31(34)36-29(2)32(3,4)5/h29H,6-28H2,1-5H3

InChI Key

YMUMDAXINCWASP-UHFFFAOYSA-N

Formula

C32H62O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

510.84

• 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	-1333.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.27	kJ/mol	Joback Calculated Property
ΔvapH°	135.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.91		Relay (1.0) Calculated Property
logPoct/wat	10.110		Crippen Calculated Property
McVol	476.620	ml/mol	McGowan Calculated Property
Pc	574.80	kPa	Joback Calculated Property
Inp	[3461.00; 3461.00]
Inp	3461.00		NIST
Inp	3461.00		NIST
Tboil	681.80	K	Relay (1.0) Calculated Property
Tc	862.69	K	Relay (1.0) Calculated Property
Tfus	323.67	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	[1736.71; 1853.50]	J/mol×K	[1080.47; 1363.10]
Cp,gas	1736.71	J/mol×K	1080.47	Joback Calculated Property
Cp,gas	1761.88	J/mol×K	1127.57	Joback Calculated Property
Cp,gas	1784.50	J/mol×K	1174.68	Joback Calculated Property
Cp,gas	1804.77	J/mol×K	1221.78	Joback Calculated Property
Cp,gas	1822.90	J/mol×K	1268.89	Joback Calculated Property
Cp,gas	1839.08	J/mol×K	1315.99	Joback Calculated Property
Cp,gas	1853.50	J/mol×K	1363.10	Joback Calculated Property
η	[0.0000056; 0.0001728]	Pa×s	[582.14; 1080.47]
η	0.0001728	Pa×s	582.14	Joback Calculated Property
η	0.0000681	Pa×s	665.19	Joback Calculated Property
η	0.0000330	Pa×s	748.25	Joback Calculated Property
η	0.0000185	Pa×s	831.31	Joback Calculated Property
η	0.0000115	Pa×s	914.36	Joback Calculated Property
η	0.0000078	Pa×s	997.41	Joback Calculated Property
η	0.0000056	Pa×s	1080.47	Joback Calculated Property

Similar Compounds

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