Chemical Properties of Terephthalic acid, but-2-enyl nonyl ester

InChI

InChI=1S/C21H30O4/c1-3-5-7-8-9-10-11-17-25-21(23)19-14-12-18(13-15-19)20(22)24-16-6-4-2/h4,6,12-15H,3,5,7-11,16-17H2,1-2H3

InChI Key

NPZVGLDVSFYCIU-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

CC=CCOC(=O)c1ccc(C(=O)OCCCCCCCCC)cc1

Molecular Weight¹

346.47

• 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	[414.94; 966.81]	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			8.29000e-01
Coefficient B			1.77084e+00
Coefficient C			-9.77360e-04
Coefficient D			1.72500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	414.94	J/mol×K	273.00	Calculated Property
Cp,gas	512.63	J/mol×K	353.78	Calculated Property
Cp,gas	599.95	J/mol×K	434.56	Calculated Property
Cp,gas	677.45	J/mol×K	515.33	Calculated Property
Cp,gas	745.68	J/mol×K	596.11	Calculated Property
Cp,gas	805.18	J/mol×K	676.89	Calculated Property
Cp,gas	856.50	J/mol×K	757.67	Calculated Property
Cp,gas	900.18	J/mol×K	838.44	Calculated Property
Cp,gas	936.77	J/mol×K	919.22	Calculated Property
Cp,gas	966.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007592; 0.0000558]	Pa×s	[444.95; 722.30]	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			-1.39832e+01
Coefficient B			3.02564e+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.			444.95
Temperature range, max.			722.30
η	0.0007592	Pa×s	444.95	Calculated Property
η	0.0004887	Pa×s	475.77	Calculated Property
η	0.0003319	Pa×s	506.58	Calculated Property
η	0.0002357	Pa×s	537.40	Calculated Property
η	0.0001737	Pa×s	568.22	Calculated Property
η	0.0001321	Pa×s	599.03	Calculated Property
η	0.0001031	Pa×s	629.85	Calculated Property
η	0.0000824	Pa×s	660.66	Calculated Property
η	0.0000672	Pa×s	691.48	Calculated Property
η	0.0000558	Pa×s	722.30	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, but-2-enyl nonyl ester.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.