Chemical Properties of Phthalic acid, nonyl trans-hex-3-enyl ester

InChI

InChI=1S/C23H34O4/c1-3-5-7-9-10-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-8-6-4-2/h6,8,12-13,16-17H,3-5,7,9-11,14-15,18-19H2,1-2H3/b8-6+

InChI Key

ZHOVZTKLWDLLDM-SOFGYWHQSA-N

Formula

C23H34O4

SMILES

CCC=CCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC

Molecular Weight¹

374.51

• 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	[457.36; 1069.99]	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			-9.89000e-01
Coefficient B			1.96084e+00
Coefficient C			-1.08616e-03
Coefficient D			1.96300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	457.36	J/mol×K	273.00	Calculated Property
Cp,gas	565.46	J/mol×K	353.78	Calculated Property
Cp,gas	662.10	J/mol×K	434.56	Calculated Property
Cp,gas	747.91	J/mol×K	515.33	Calculated Property
Cp,gas	823.51	J/mol×K	596.11	Calculated Property
Cp,gas	889.51	J/mol×K	676.89	Calculated Property
Cp,gas	946.53	J/mol×K	757.67	Calculated Property
Cp,gas	995.21	J/mol×K	838.44	Calculated Property
Cp,gas	1036.16	J/mol×K	919.22	Calculated Property
Cp,gas	1069.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005941; 0.0000430]	Pa×s	[467.49; 756.20]	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			-1.43034e+01
Coefficient B			3.21396e+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.			467.49
Temperature range, max.			756.20
η	0.0005941	Pa×s	467.49	Calculated Property
η	0.0003821	Pa×s	499.57	Calculated Property
η	0.0002592	Pa×s	531.65	Calculated Property
η	0.0001837	Pa×s	563.73	Calculated Property
η	0.0001352	Pa×s	595.81	Calculated Property
η	0.0001026	Pa×s	627.89	Calculated Property
η	0.0000800	Pa×s	659.97	Calculated Property
η	0.0000638	Pa×s	692.04	Calculated Property
η	0.0000520	Pa×s	724.12	Calculated Property
η	0.0000430	Pa×s	756.20	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, nonyl trans-hex-3-enyl ester.

Sources

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

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