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_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).
• 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
ΔfG°	-201.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-975.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.28	kJ/mol	Joback Calculated Property
ΔvapH°	112.63	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	923.86	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	873.95	K	Relay (1.0) Calculated Property
Tfus	283.44	K	Relay (1.0) Calculated Property
Vc	1.377	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1244.40; 1326.50]	J/mol×K	[977.64; 1196.94]
Cp,gas	1244.40	J/mol×K	977.64	Joback Calculated Property
Cp,gas	1261.82	J/mol×K	1014.19	Joback Calculated Property
Cp,gas	1277.68	J/mol×K	1050.74	Joback Calculated Property
Cp,gas	1292.02	J/mol×K	1087.29	Joback Calculated Property
Cp,gas	1304.91	J/mol×K	1123.84	Joback Calculated Property
Cp,gas	1316.39	J/mol×K	1160.39	Joback Calculated Property
Cp,gas	1326.50	J/mol×K	1196.94	Joback Calculated Property
η	[0.0000189; 0.0003771]	Pa×s	[536.04; 977.64]
η	0.0003771	Pa×s	536.04	Joback Calculated Property
η	0.0001694	Pa×s	609.64	Joback Calculated Property
η	0.0000904	Pa×s	683.24	Joback Calculated Property
η	0.0000545	Pa×s	756.84	Joback Calculated Property
η	0.0000360	Pa×s	830.44	Joback Calculated Property
η	0.0000254	Pa×s	904.04	Joback Calculated Property
η	0.0000189	Pa×s	977.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diisononyl phthalate.

Mixtures

• n-Hexane + Diisononyl phthalate
• Toluene + Diisononyl phthalate
• Ethylbenzene + 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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