Chemical Properties of Hexanedioic acid, dinonyl ester (CAS 151-32-6)

InChI

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

InChI Key

WIYAGHSNPUBKDT-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC

Molecular Weight¹

398.62

CAS

151-32-6

Other Names

• Adimoll DN
• Adipic acid, dinonyl ester
• Bisoflex DNA
• Di-n-nonyl adipate
• Dinonyl adipate
• Plastomoll Na

• 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°	113.55	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	[2484.00; 2484.00]
Inp	2484.00		NIST
Inp	2484.00		NIST
Inp	2484.00		NIST
Tboil	639.00	K	Relay (1.0) Calculated Property
Tc	809.86	K	Relay (1.0) Calculated Property
Tfus	297.32	K	Relay (1.0) Calculated Property
Vc	1.424	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.29; 1273.73]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.18900e+01
Coefficient B			2.17424e+00
Coefficient C			-1.09260e-03
Coefficient D			1.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	547.29	J/mol×K	273.00	Calculated Property
Cp,gas	671.43	J/mol×K	353.78	Calculated Property
Cp,gas	783.54	J/mol×K	434.56	Calculated Property
Cp,gas	884.11	J/mol×K	515.33	Calculated Property
Cp,gas	973.66	J/mol×K	596.11	Calculated Property
Cp,gas	1052.69	J/mol×K	676.89	Calculated Property
Cp,gas	1121.70	J/mol×K	757.67	Calculated Property
Cp,gas	1181.21	J/mol×K	838.44	Calculated Property
Cp,gas	1231.72	J/mol×K	919.22	Calculated Property
Cp,gas	1273.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008807; 0.0000433]	Pa×s	[444.90; 741.80]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.45640e+01
Coefficient B			3.34972e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			444.90
Temperature range, max.			741.80
η	0.0008807	Pa×s	444.90	Calculated Property
η	0.0005237	Pa×s	477.89	Calculated Property
η	0.0003331	Pa×s	510.88	Calculated Property
η	0.0002238	Pa×s	543.87	Calculated Property
η	0.0001573	Pa×s	576.85	Calculated Property
η	0.0001149	Pa×s	609.84	Calculated Property
η	0.0000867	Pa×s	642.83	Calculated Property
η	0.0000672	Pa×s	675.82	Calculated Property
η	0.0000534	Pa×s	708.81	Calculated Property
η	0.0000433	Pa×s	741.80	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, dinonyl ester.

Sources

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

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