Chemical Properties of Sebacic acid, diisobutyl ester (CAS 18420-46-7)

InChI

InChI=1S/C18H34O4/c1-15(2)13-21-17(19)11-9-7-5-6-8-10-12-18(20)22-14-16(3)4/h15-16H,5-14H2,1-4H3

InChI Key

HMOFGLGHQFZQDS-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

314.46

CAS

18420-46-7

Other Names

• Decanedioic acid, diisobutyl ester
• Diisobutyl sebacate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9329		Relay (1.0) Calculated Property
ΔfH°gas	-1063.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.90	kJ/mol	Joback Calculated Property
ΔvapH°	86.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	4.506		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1241.58	kPa	Joback Calculated Property
Inp	[2157.00; 2157.00]
Inp	2157.00		NIST
Inp	2157.00		NIST
Tboil	594.00	K	Relay (1.0) Calculated Property
Tc	751.84	K	Relay (1.0) Calculated Property
Tfus	272.16	K	Relay (1.0) Calculated Property
Vc	1.082	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.46; 942.50]	J/mol×K	[762.94; 944.42]
Cp,gas	850.46	J/mol×K	762.94	Joback Calculated Property
Cp,gas	868.17	J/mol×K	793.19	Joback Calculated Property
Cp,gas	884.91	J/mol×K	823.43	Joback Calculated Property
Cp,gas	900.70	J/mol×K	853.68	Joback Calculated Property
Cp,gas	915.55	J/mol×K	883.93	Joback Calculated Property
Cp,gas	929.48	J/mol×K	914.17	Joback Calculated Property
Cp,gas	942.50	J/mol×K	944.42	Joback Calculated Property
η	[0.0000599; 0.0015163]	Pa×s	[406.94; 762.94]
η	0.0015163	Pa×s	406.94	Joback Calculated Property
η	0.0006283	Pa×s	466.27	Joback Calculated Property
η	0.0003176	Pa×s	525.61	Joback Calculated Property
η	0.0001844	Pa×s	584.94	Joback Calculated Property
η	0.0001183	Pa×s	644.27	Joback Calculated Property
η	0.0000818	Pa×s	703.61	Joback Calculated Property
η	0.0000599	Pa×s	762.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, diisobutyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.