Chemical Properties of Bis(tridecyl) phthalate (CAS 119-06-2)

InChI

InChI=1S/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-37-33(35)31-27-23-24-28-32(31)34(36)38-30-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26,29-30H2,1-2H3

InChI Key

YCZJVRCZIPDYHH-UHFFFAOYSA-N

Formula

C34H58O4

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC

Molecular Weight¹

530.82

CAS

119-06-2

Other Names

• 1,2-Benzenedicarboxylic acid, ditridecyl ester
• Phthalic acid, ditridecyl ester
• Ditridecyl phthalate
• Polycizer 962-BPA
• Staflex DTDP
• Truflex DTDP
• DTDP
• Jayflex DTDP
• Nuoplaz
• 1-Tridecanol, phthalate
• 1,2-Benzenedicarboxylic acid, 1,2-ditridecyl ester

• 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).
• 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

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	[704.72; 1668.07]	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			3.19400e+00
Coefficient B			2.98584e+00
Coefficient C			-1.60076e-03
Coefficient D			2.79800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	704.72	J/mol×K	273.00	Calculated Property
Cp,gas	871.56	J/mol×K	353.78	Calculated Property
Cp,gas	1021.38	J/mol×K	434.56	Calculated Property
Cp,gas	1155.08	J/mol×K	515.33	Calculated Property
Cp,gas	1273.53	J/mol×K	596.11	Calculated Property
Cp,gas	1377.62	J/mol×K	676.89	Calculated Property
Cp,gas	1468.23	J/mol×K	757.67	Calculated Property
Cp,gas	1546.26	J/mol×K	838.44	Calculated Property
Cp,gas	1612.58	J/mol×K	919.22	Calculated Property
Cp,gas	1668.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001372; 0.0000078]	Pa×s	[596.54; 994.63]	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			-1.60576e+01
Coefficient B			4.27348e+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.			596.54
Temperature range, max.			994.63
η	0.0001372	Pa×s	596.54	Calculated Property
η	0.0000837	Pa×s	640.77	Calculated Property
η	0.0000544	Pa×s	685.00	Calculated Property
η	0.0000373	Pa×s	729.24	Calculated Property
η	0.0000267	Pa×s	773.47	Calculated Property
η	0.0000198	Pa×s	817.70	Calculated Property
η	0.0000151	Pa×s	861.93	Calculated Property
η	0.0000119	Pa×s	906.16	Calculated Property
η	0.0000095	Pa×s	950.40	Calculated Property
η	0.0000078	Pa×s	994.63	Calculated Property

Similar Compounds

Find more compounds similar to Bis(tridecyl) phthalate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.