Chemical Properties of Adipic acid, decyl octyl ester

InChI

InChI=1S/C24H46O4/c1-3-5-7-9-11-12-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-13-10-8-6-4-2/h3-22H2,1-2H3

InChI Key

NWSGBTCJMJADLE-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC

Molecular Weight¹

398.63

Other Names

• Hexanedioic acid, decyl octyl ester
• Adipic acid, decyl octyl ester
• Octyl decyl adipate

• 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	1.1915		Relay (1.0) Calculated Property
ΔfH°gas	-1148.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.65	kJ/mol	Joback Calculated Property
ΔvapH°	115.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	7.134		Crippen Calculated Property
McVol	363.900	ml/mol	McGowan Calculated Property
Pc	810.76	kPa	Joback Calculated Property
Inp	[2745.00; 2745.00]
Inp	2745.00		NIST
Inp	2745.00		NIST
Inp	2745.00		NIST
Tboil	639.00	K	Relay (1.0) Calculated Property
Tc	815.23	K	Relay (1.0) Calculated Property
Tfus	290.95	K	Relay (1.0) Calculated Property
Vc	1.427	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	[1198.88; 1299.63]	J/mol×K	[865.16; 1059.71]
Cp,gas	1198.88	J/mol×K	865.16	Joback Calculated Property
Cp,gas	1219.04	J/mol×K	897.59	Joback Calculated Property
Cp,gas	1237.81	J/mol×K	930.01	Joback Calculated Property
Cp,gas	1255.22	J/mol×K	962.44	Joback Calculated Property
Cp,gas	1271.30	J/mol×K	994.86	Joback Calculated Property
Cp,gas	1286.09	J/mol×K	1027.29	Joback Calculated Property
Cp,gas	1299.63	J/mol×K	1059.71	Joback Calculated Property
η	[0.0000227; 0.0008807]	Pa×s	[444.90; 865.16]
η	0.0008807	Pa×s	444.90	Joback Calculated Property
η	0.0003163	Pa×s	514.94	Joback Calculated Property
η	0.0001451	Pa×s	584.99	Joback Calculated Property
η	0.0000787	Pa×s	655.03	Joback Calculated Property
η	0.0000480	Pa×s	725.07	Joback Calculated Property
η	0.0000320	Pa×s	795.12	Joback Calculated Property
η	0.0000227	Pa×s	865.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, decyl octyl ester.

Sources

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

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