Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester

InChI

InChI=1S/C16H28O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h11-14H,5-10H2,1-4H3

InChI Key

QUKHPBOCBWDYMW-UHFFFAOYSA-N

Formula

C16H28O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C

Molecular Weight¹

284.39

Other Names

• diisobutyl hexahydrophthalate

• 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).
• 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).
• n₀ : Refractive Index.
• 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
ΔfG°	-372.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-839.75	kJ/mol	Joback Calculated Property
ΔfusH°	28.63	kJ/mol	Joback Calculated Property
ΔvapH°	68.87	kJ/mol	Joback Calculated Property
log10WS	-3.17		Crippen Calculated Property
logPoct/wat	3.191		Crippen Calculated Property
McVol	240.320	ml/mol	McGowan Calculated Property
Pc	1633.81	kPa	Joback Calculated Property
Inp	[1845.00; 1845.00]
Inp	1845.00		NIST
Inp	1845.00		NIST
Tboil	732.06	K	Joback Calculated Property
Tc	933.91	K	Joback Calculated Property
Tfus	387.54	K	Joback Calculated Property
Vc	0.899	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[732.39; 830.10]	J/mol×K	[732.06; 933.91]
Cp,gas	732.39	J/mol×K	732.06	Joback Calculated Property
Cp,gas	751.74	J/mol×K	765.70	Joback Calculated Property
Cp,gas	769.85	J/mol×K	799.34	Joback Calculated Property
Cp,gas	786.74	J/mol×K	832.99	Joback Calculated Property
Cp,gas	802.40	J/mol×K	866.63	Joback Calculated Property
Cp,gas	816.85	J/mol×K	900.27	Joback Calculated Property
Cp,gas	830.10	J/mol×K	933.91	Joback Calculated Property
η	[0.0001020; 0.0021382]	Pa×s	[387.54; 732.06]
η	0.0021382	Pa×s	387.54	Joback Calculated Property
η	0.0009283	Pa×s	444.96	Joback Calculated Property
η	0.0004877	Pa×s	502.38	Joback Calculated Property
η	0.0002924	Pa×s	559.80	Joback Calculated Property
η	0.0001928	Pa×s	617.22	Joback Calculated Property
η	0.0001365	Pa×s	674.64	Joback Calculated Property
η	0.0001020	Pa×s	732.06	Joback Calculated Property
n0	[1.45300; 1.45300]		[293.10; 293.20]
n0	1.45300		293.10	Isobari...
n0	1.45300		293.20	Isother...

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester.

Mixtures

• Maleic anhydride + 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester
• Water + 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester

Sources

• Crippen Method
• Crippen Method
• Isobaric vapor liquid equilibria of the binary system maleic anhydride and di-isobutyl hexahydrophthalate at 2.67, 5.33 and 8.00 kPa
• Isothermal (vapor + liquid) equilibria of maleic anhydride + di-isobutyl hexahydrophthalate and maleic anhydride + di-n-butyl phthalate systems at T= (413.2, 433.2 and 453.2) K
• Liquid-Liquid Equilibria for the Binary Systems (Water + Di-n-butyl Phthalate), (Water + Di-ethyl Phthalate), and (Water + Di-isobutyl Hexahydrophthalate) from (298.2 to 348.2) K
• Joback Method
• McGowan Method
• NIST Webbook

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