Chemical Properties of Decanedioic acid, dinonyl ester (CAS 4121-16-8)

InChI

InChI=1S/C28H54O4/c1-3-5-7-9-13-17-21-25-31-27(29)23-19-15-11-12-16-20-24-28(30)32-26-22-18-14-10-8-6-4-2/h3-26H2,1-2H3

InChI Key

VNTXONBESJNLBI-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC

Molecular Weight¹

454.73

CAS

4121-16-8

Other Names

• Sebacic acid, dinonyl ester
• dinonyl 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	1.3316		Relay (1.0) Calculated Property
ΔfH°gas	-1227.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.85	kJ/mol	Joback Calculated Property
ΔvapH°	127.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-7.77		Relay (1.0) Calculated Property
logPoct/wat	8.695		Crippen Calculated Property
McVol	420.260	ml/mol	McGowan Calculated Property
Pc	687.45	kPa	Joback Calculated Property
Inp	[3234.00; 3234.00]
Inp	3234.00		NIST
Inp	3234.00		NIST
Tboil	663.79	K	Relay (1.0) Calculated Property
Tc	834.10	K	Relay (1.0) Calculated Property
Tfus	315.33	K	Relay (1.0) Calculated Property
Vc	1.644	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	[1474.57; 1581.91]	J/mol×K	[992.62; 1233.15]
Cp,gas	1474.57	J/mol×K	992.62	Joback Calculated Property
Cp,gas	1497.33	J/mol×K	1032.71	Joback Calculated Property
Cp,gas	1518.05	J/mol×K	1072.80	Joback Calculated Property
Cp,gas	1536.79	J/mol×K	1112.88	Joback Calculated Property
Cp,gas	1553.63	J/mol×K	1152.97	Joback Calculated Property
Cp,gas	1568.65	J/mol×K	1193.06	Joback Calculated Property
Cp,gas	1581.91	J/mol×K	1233.15	Joback Calculated Property
η	[0.0000158; 0.0003138]	Pa×s	[549.64; 992.62]
η	0.0003138	Pa×s	549.64	Joback Calculated Property
η	0.0001419	Pa×s	623.47	Joback Calculated Property
η	0.0000759	Pa×s	697.30	Joback Calculated Property
η	0.0000458	Pa×s	771.13	Joback Calculated Property
η	0.0000302	Pa×s	844.96	Joback Calculated Property
η	0.0000212	Pa×s	918.79	Joback Calculated Property
η	0.0000158	Pa×s	992.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Decanedioic acid, dinonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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