Chemical Properties of BIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE

InChI

InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3

InChI Key

GDJOUZYAIHWDCA-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C

Molecular Weight¹

418.62

Other Names

• 1,2-Benzenedicarboxylic acid, bis(3,5,5-trimethylhexyl) ester
• Bis-(3,5,5-trimethylhexyl) phthalate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.46; 1259.36]	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			-4.18440e+01
Coefficient B			2.48936e+00
Coefficient C			-1.51556e-03
Coefficient D			3.27400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	531.46	J/mol×K	273.00	Calculated Property
Cp,gas	663.65	J/mol×K	353.78	Calculated Property
Cp,gas	780.59	J/mol×K	434.56	Calculated Property
Cp,gas	883.33	J/mol×K	515.33	Calculated Property
Cp,gas	972.89	J/mol×K	596.11	Calculated Property
Cp,gas	1050.32	J/mol×K	676.89	Calculated Property
Cp,gas	1116.64	J/mol×K	757.67	Calculated Property
Cp,gas	1172.90	J/mol×K	838.44	Calculated Property
Cp,gas	1220.13	J/mol×K	919.22	Calculated Property
Cp,gas	1259.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005172; 0.0000172]	Pa×s	[481.22; 804.21]	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			-1.60390e+01
Coefficient B			4.07692e+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.			481.22
Temperature range, max.			804.21
η	0.0005172	Pa×s	481.22	Calculated Property
η	0.0002873	Pa×s	517.11	Calculated Property
η	0.0001722	Pa×s	553.00	Calculated Property
η	0.0001099	Pa×s	588.88	Calculated Property
η	0.0000738	Pa×s	624.77	Calculated Property
η	0.0000518	Pa×s	660.66	Calculated Property
η	0.0000377	Pa×s	696.55	Calculated Property
η	0.0000283	Pa×s	732.44	Calculated Property
η	0.0000218	Pa×s	768.32	Calculated Property
η	0.0000172	Pa×s	804.21	Calculated Property

Similar Compounds

Find more compounds similar to BIS(3,5,5-TRIMETHYLHEXYL) PHTHALATE.

Sources

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

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