Chemical Properties of Decanedioic acid, diisooctyl ester (CAS 27214-90-0)

InChI

InChI=1S/C26H50O4/c1-23(2)17-11-9-15-21-29-25(27)19-13-7-5-6-8-14-20-26(28)30-22-16-10-12-18-24(3)4/h23-24H,5-22H2,1-4H3

InChI Key

ZWYAVGUHWPLBGT-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C

Molecular Weight¹

426.67

CAS

27214-90-0

Other Names

• Sebacic acid, dioctyl ester
• diisooctyl 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).
• 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	1.1992		Relay (1.0) Calculated Property
ΔfH°gas	-1220.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.79	kJ/mol	Joback Calculated Property
ΔvapH°	116.09	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.99		Relay (1.0) Calculated Property
logPoct/wat	7.626		Crippen Calculated Property
McVol	392.080	ml/mol	McGowan Calculated Property
Pc	735.22	kPa	Joback Calculated Property
Inp	[3033.00; 3033.00]
Inp	3033.00		NIST
Inp	3033.00		NIST
Tboil	651.93	K	Relay (1.0) Calculated Property
Tc	822.25	K	Relay (1.0) Calculated Property
Tfus	291.51	K	Relay (1.0) Calculated Property
Vc	1.507	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[1326.69; 1428.76]	J/mol×K	[910.04; 1116.68]
Cp,gas	1326.69	J/mol×K	910.04	Joback Calculated Property
Cp,gas	1347.64	J/mol×K	944.48	Joback Calculated Property
Cp,gas	1366.95	J/mol×K	978.92	Joback Calculated Property
Cp,gas	1384.68	J/mol×K	1013.36	Joback Calculated Property
Cp,gas	1400.86	J/mol×K	1047.80	Joback Calculated Property
Cp,gas	1415.53	J/mol×K	1082.24	Joback Calculated Property
Cp,gas	1428.76	J/mol×K	1116.68	Joback Calculated Property
η	[0.0000138; 0.0010068]	Pa×s	[437.44; 910.04]
η	0.0010068	Pa×s	437.44	Joback Calculated Property
η	0.0002854	Pa×s	516.21	Joback Calculated Property
η	0.0001130	Pa×s	594.97	Joback Calculated Property
η	0.0000555	Pa×s	673.74	Joback Calculated Property
η	0.0000317	Pa×s	752.51	Joback Calculated Property
η	0.0000201	Pa×s	831.27	Joback Calculated Property
η	0.0000138	Pa×s	910.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Decanedioic acid, diisooctyl 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.
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