Chemical Properties of Diisononyl phthalate (CAS 28553-12-0)

InChI

InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3

InChI Key

HBGGXOJOCNVPFY-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C

Molecular Weight¹

418.61

CAS

28553-12-0

Other Names

• 1,2-Benzenedicarboxylic acid, diisononyl ester
• bis(7-methyloctyl) phthalate
• di-''isononyl'' phthalate

• 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	1.1596		Relay (1.0) Calculated Property
ΔfH°gas	-975.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.44	kJ/mol	Joback Calculated Property
ΔvapH°	113.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-7.41		Relay (1.0) Calculated Property
logPoct/wat	7.213		Crippen Calculated Property
McVol	368.320	ml/mol	McGowan Calculated Property
Pc	879.48	kPa	Joback Calculated Property
Inp	[2649.00; 2649.00]
Inp	2649.00		NIST
Inp	2649.00		NIST
Inp	2649.00		NIST
Inp	2649.00		NIST
Tboil	673.17	K	Relay (1.0) Calculated Property
Tc	875.58	K	Relay (1.0) Calculated Property
Tfus	280.88	K	Relay (1.0) Calculated Property
Vc	1.378	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	[1228.36; 1310.56]	J/mol×K	[941.70; 1153.02]
Cp,gas	1228.36	J/mol×K	941.70	Joback Calculated Property
Cp,gas	1245.83	J/mol×K	976.92	Joback Calculated Property
Cp,gas	1261.73	J/mol×K	1012.14	Joback Calculated Property
Cp,gas	1276.10	J/mol×K	1047.36	Joback Calculated Property
Cp,gas	1289.00	J/mol×K	1082.58	Joback Calculated Property
Cp,gas	1300.47	J/mol×K	1117.80	Joback Calculated Property
Cp,gas	1310.56	J/mol×K	1153.02	Joback Calculated Property
η	[0.0000143; 0.0005975]	Pa×s	[476.38; 941.70]
η	0.0005975	Pa×s	476.38	Joback Calculated Property
η	0.0002077	Pa×s	553.93	Joback Calculated Property
η	0.0000936	Pa×s	631.49	Joback Calculated Property
η	0.0000502	Pa×s	709.04	Joback Calculated Property
η	0.0000304	Pa×s	786.59	Joback Calculated Property
η	0.0000202	Pa×s	864.15	Joback Calculated Property
η	0.0000143	Pa×s	941.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diisononyl phthalate.

Mixtures

• n-Hexane + Diisononyl phthalate
• Toluene + Diisononyl phthalate
• Benzene, ethyl- + Diisononyl phthalate

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubilities at High Dilution of Toluene, Ethylbenzene, 1,2,4-Trimethylbenzene, and Hexane in Di-2-ethylhexyl, Diisoheptyl, and Diisononyl Phthalates
• Joback Method
• McGowan Method
• NIST Webbook

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