Chemical Properties of Isophthalic acid, hex-3-yl tetradecyl ester

InChI

InChI=1S/C28H46O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-31-27(29)24-20-18-21-25(23-24)28(30)32-26(6-3)19-5-2/h18,20-21,23,26H,4-17,19,22H2,1-3H3

InChI Key

PGRFLBUIGTVQQA-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(CC)CCC)c1

Molecular Weight¹

446.67

• 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	[577.12; 1359.07]	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			6.96600e+00
Coefficient B			2.42176e+00
Coefficient C			-1.27756e-03
Coefficient D			2.07900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	577.12	J/mol×K	273.00	Calculated Property
Cp,gas	713.04	J/mol×K	353.78	Calculated Property
Cp,gas	835.16	J/mol×K	434.56	Calculated Property
Cp,gas	944.15	J/mol×K	515.33	Calculated Property
Cp,gas	1040.66	J/mol×K	596.11	Calculated Property
Cp,gas	1125.36	J/mol×K	676.89	Calculated Property
Cp,gas	1198.88	J/mol×K	757.67	Calculated Property
Cp,gas	1261.91	J/mol×K	838.44	Calculated Property
Cp,gas	1315.08	J/mol×K	919.22	Calculated Property
Cp,gas	1359.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003781; 0.0000214]	Pa×s	[513.92; 847.99]	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			-1.51702e+01
Coefficient B			3.74634e+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.			513.92
Temperature range, max.			847.99
η	0.0003781	Pa×s	513.92	Calculated Property
η	0.0002314	Pa×s	551.04	Calculated Property
η	0.0001506	Pa×s	588.16	Calculated Property
η	0.0001032	Pa×s	625.28	Calculated Property
η	0.0000738	Pa×s	662.39	Calculated Property
η	0.0000547	Pa×s	699.51	Calculated Property
η	0.0000417	Pa×s	736.63	Calculated Property
η	0.0000327	Pa×s	773.75	Calculated Property
η	0.0000262	Pa×s	810.87	Calculated Property
η	0.0000214	Pa×s	847.99	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, hex-3-yl tetradecyl ester.

Sources

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

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