Chemical Properties of Di(Z)-non-3-enyl phthalate

InChI

InChI=1S/C26H38O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h11-16,19-20H,3-10,17-18,21-22H2,1-2H3/b13-11-,14-12-

InChI Key

QKKJDMQLYBFXCG-XSYHWHKQSA-N

Formula

C26H38O4

SMILES

CCCCCC=CCCOC(=O)c1ccccc1C(=O)OCCC=CCCCCC

Molecular Weight¹

414.58

Other Names

• 1,2-Benzenedicarboxylic acid, di(Z)-non-3-enyl ester
• Di(Z)-non-3-enyl-1,2-benzenedicarboxylate

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.00; 1194.18]	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			-1.78980e+01
Coefficient B			2.26584e+00
Coefficient C			-1.33316e-03
Coefficient D			2.79400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	507.00	J/mol×K	273.00	Calculated Property
Cp,gas	629.22	J/mol×K	353.78	Calculated Property
Cp,gas	737.91	J/mol×K	434.56	Calculated Property
Cp,gas	833.96	J/mol×K	515.33	Calculated Property
Cp,gas	918.24	J/mol×K	596.11	Calculated Property
Cp,gas	991.65	J/mol×K	676.89	Calculated Property
Cp,gas	1055.06	J/mol×K	757.67	Calculated Property
Cp,gas	1109.37	J/mol×K	838.44	Calculated Property
Cp,gas	1155.45	J/mol×K	919.22	Calculated Property
Cp,gas	1194.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003758; 0.0000243]	Pa×s	[496.22; 815.25]	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			-1.48847e+01
Coefficient B			3.47268e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			496.22
Temperature range, max.			815.25
η	0.0003758	Pa×s	496.22	Calculated Property
η	0.0002357	Pa×s	531.67	Calculated Property
η	0.0001567	Pa×s	567.12	Calculated Property
η	0.0001093	Pa×s	602.56	Calculated Property
η	0.0000793	Pa×s	638.01	Calculated Property
η	0.0000596	Pa×s	673.46	Calculated Property
η	0.0000460	Pa×s	708.91	Calculated Property
η	0.0000365	Pa×s	744.36	Calculated Property
η	0.0000295	Pa×s	779.80	Calculated Property
η	0.0000243	Pa×s	815.25	Calculated Property

Similar Compounds

Find more compounds similar to Di(Z)-non-3-enyl phthalate.

Sources

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

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