Chemical Properties of Hexanedioic acid, dioctyl ester (CAS 123-79-5)

InChI

InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3

InChI Key

NEHDRDVHPTWWFG-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC

Molecular Weight¹

370.57

CAS

123-79-5

Other Names

• Adiimoll DO
• Dioctyl adipate
• Dioctyl ester of hexanedioic acid
• Dioctyl hexanedioate
• Hexanedioic acid, 1,6-dioctyl ester
• NSC 16201
• Octyl adipate
• adimoll DO
• adipic acid, dioctyl ester
• di-n-octyl adipate
• hexanedioic acid dioctyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• I : 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
ΔfG°	-333.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-987.01	kJ/mol	Joback Calculated Property
ΔfusH°	58.31	kJ/mol	Joback Calculated Property
ΔvapH°	82.88	kJ/mol	Joback Calculated Property
log10WS	-6.76		Crippen Calculated Property
logPoct/wat	6.354		Crippen Calculated Property
McVol	335.720	ml/mol	McGowan Calculated Property
Pc	953.78	kPa	Joback Calculated Property
Inp	[398.20; 398.20]
Inp	398.20		NIST
Inp	398.20		NIST
Inp	398.20		NIST
I	[2834.00; 2846.00]
I	2846.00		NIST
I	2846.00		NIST
I	2834.00		NIST
I	2846.00		NIST
I	2834.00		NIST
Tboil	855.34	K	Joback Calculated Property
Tc	1047.20	K	Joback Calculated Property
Tfus	482.02	K	Joback Calculated Property
Vc	1.315	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1092.06; 1189.55]	J/mol×K	[855.34; 1047.20]
Cp,gas	1092.06	J/mol×K	855.34	Joback Calculated Property
Cp,gas	1111.23	J/mol×K	887.32	Joback Calculated Property
Cp,gas	1129.19	J/mol×K	919.29	Joback Calculated Property
Cp,gas	1145.99	J/mol×K	951.27	Joback Calculated Property
Cp,gas	1161.63	J/mol×K	983.25	Joback Calculated Property
Cp,gas	1176.14	J/mol×K	1015.23	Joback Calculated Property
Cp,gas	1189.55	J/mol×K	1047.20	Joback Calculated Property
η	[0.0000397; 0.0006693]	Pa×s	[482.02; 855.34]
η	0.0006693	Pa×s	482.02	Joback Calculated Property
η	0.0003195	Pa×s	544.24	Joback Calculated Property
η	0.0001775	Pa×s	606.46	Joback Calculated Property
η	0.0001100	Pa×s	668.68	Joback Calculated Property
η	0.0000739	Pa×s	730.90	Joback Calculated Property
η	0.0000529	Pa×s	793.12	Joback Calculated Property
η	0.0000397	Pa×s	855.34	Joback Calculated Property
ΔvapH	99.00	kJ/mol	433.00	NIST

Similar Compounds

Find more compounds similar to Hexanedioic acid, dioctyl ester.

Mixtures

• Furfural + Water + Hexanedioic acid, dioctyl ester
• Pentanoic acid, 4-oxo- + Water + Hexanedioic acid, dioctyl ester

Sources

• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Joback Method
• McGowan Method
• NIST Webbook

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