Chemical Properties of Decanedioic acid, dioctyl ester

InChI

InChI=1S/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3

InChI Key

MIMDHDXOBDPUQW-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC

Molecular Weight¹

426.68

Other Names

• Dioctyl sebacate
• decadioic acid, dioctyl ester
• Di-n-octyl sebacate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	1.2613		Relay (1.0) Calculated Property
ΔfH°gas	-1187.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.67	kJ/mol	Joback Calculated Property
ΔvapH°	120.80 ± 4.20	kJ/mol	NIST
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-7.12		Relay (1.0) Calculated Property
logPoct/wat	7.915		Crippen Calculated Property
McVol	392.080	ml/mol	McGowan Calculated Property
Pc	762.26	kPa	Joback Calculated Property
Inp	[458.70; 2782.00]
Inp	2782.00		NIST
Inp	2773.00		NIST
Inp	2773.00		NIST
Inp	2778.00		NIST
Inp	2782.00		NIST
Inp	2782.00		NIST
Inp	458.80		NIST
Inp	458.70		NIST
Inp	2782.00		NIST
Inp	458.80		NIST
Inp	2773.00		NIST
Tboil	651.04	K	Relay (1.0) Calculated Property
Tc	821.39	K	Relay (1.0) Calculated Property
Tfus	308.41	K	Relay (1.0) Calculated Property
Vc	1.534	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	[1345.23; 1449.33]	J/mol×K	[946.86; 1166.44]
Cp,gas	1345.23	J/mol×K	946.86	Joback Calculated Property
Cp,gas	1366.62	J/mol×K	983.46	Joback Calculated Property
Cp,gas	1386.33	J/mol×K	1020.05	Joback Calculated Property
Cp,gas	1404.40	J/mol×K	1056.65	Joback Calculated Property
Cp,gas	1420.89	J/mol×K	1093.25	Joback Calculated Property
Cp,gas	1435.85	J/mol×K	1129.84	Joback Calculated Property
Cp,gas	1449.33	J/mol×K	1166.44	Joback Calculated Property
Cp,liquid	849.00	J/mol×K	318.00	NIST
η	[0.0000216; 0.0004085]	Pa×s	[527.10; 946.86]
η	0.0004085	Pa×s	527.10	Joback Calculated Property
η	0.0001878	Pa×s	597.06	Joback Calculated Property
η	0.0001016	Pa×s	667.02	Joback Calculated Property
η	0.0000618	Pa×s	736.98	Joback Calculated Property
η	0.0000410	Pa×s	806.94	Joback Calculated Property
η	0.0000290	Pa×s	876.90	Joback Calculated Property
η	0.0000216	Pa×s	946.86	Joback Calculated Property
ΔvapH	[107.10; 109.70]	kJ/mol	[368.00; 468.00]
ΔvapH	109.70	kJ/mol	368.00	NIST
ΔvapH	107.10	kJ/mol	468.00	NIST

Similar Compounds

Find more compounds similar to Decanedioic acid, dioctyl 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.