Chemical Properties of Terephthalic acid, butyl 2,2-dichloroethyl ester

InChI

InChI=1S/C14H16Cl2O4/c1-2-3-8-19-13(17)10-4-6-11(7-5-10)14(18)20-9-12(15)16/h4-7,12H,2-3,8-9H2,1H3

InChI Key

BNJZLSJZNILXGC-UHFFFAOYSA-N

Formula

C14H16Cl2O4

SMILES

CCCCOC(=O)c1ccc(C(=O)OCC(Cl)Cl)cc1

Molecular Weight¹

319.18

• 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).
• 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 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	[306.94; 653.33]	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			4.54740e+01
Coefficient B			1.10532e+00
Coefficient C			-5.56760e-04
Coefficient D			5.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.94	J/mol×K	273.00	Calculated Property
Cp,gas	369.45	J/mol×K	353.78	Calculated Property
Cp,gas	425.53	J/mol×K	434.56	Calculated Property
Cp,gas	475.34	J/mol×K	515.33	Calculated Property
Cp,gas	519.09	J/mol×K	596.11	Calculated Property
Cp,gas	556.95	J/mol×K	676.89	Calculated Property
Cp,gas	589.12	J/mol×K	757.67	Calculated Property
Cp,gas	615.78	J/mol×K	838.44	Calculated Property
Cp,gas	637.12	J/mol×K	919.22	Calculated Property
Cp,gas	653.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012973; 0.0001049]	Pa×s	[415.98; 668.28]	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			-1.33082e+01
Coefficient B			2.77074e+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.			415.98
Temperature range, max.			668.28
η	0.0012973	Pa×s	415.98	Calculated Property
η	0.0008519	Pa×s	444.01	Calculated Property
η	0.0005881	Pa×s	472.05	Calculated Property
η	0.0004232	Pa×s	500.08	Calculated Property
η	0.0003154	Pa×s	528.11	Calculated Property
η	0.0002421	Pa×s	556.15	Calculated Property
η	0.0001906	Pa×s	584.18	Calculated Property
η	0.0001534	Pa×s	612.21	Calculated Property
η	0.0001258	Pa×s	640.25	Calculated Property
η	0.0001049	Pa×s	668.28	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 2,2-dichloroethyl ester.

Sources

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

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