Chemical Properties of Terephthalic acid, 2-chloropropyl ethyl ester

InChI

InChI=1S/C13H15ClO4/c1-3-17-12(15)10-4-6-11(7-5-10)13(16)18-8-9(2)14/h4-7,9H,3,8H2,1-2H3

InChI Key

JSRPCJSBWSJEIY-UHFFFAOYSA-N

Formula

C13H15ClO4

SMILES

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

Molecular Weight¹

270.71

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[272.32; 593.47]	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			3.34920e+01
Coefficient B			1.00354e+00
Coefficient C			-4.81960e-04
Coefficient D			3.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.32	J/mol×K	273.00	Calculated Property
Cp,gas	329.90	J/mol×K	353.78	Calculated Property
Cp,gas	381.72	J/mol×K	434.56	Calculated Property
Cp,gas	427.91	J/mol×K	515.33	Calculated Property
Cp,gas	468.58	J/mol×K	596.11	Calculated Property
Cp,gas	503.86	J/mol×K	676.89	Calculated Property
Cp,gas	533.87	J/mol×K	757.67	Calculated Property
Cp,gas	558.73	J/mol×K	838.44	Calculated Property
Cp,gas	578.55	J/mol×K	919.22	Calculated Property
Cp,gas	593.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018446; 0.0001263]	Pa×s	[374.79; 625.82]	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			-1.29799e+01
Coefficient B			2.50526e+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.			374.79
Temperature range, max.			625.82
η	0.0018446	Pa×s	374.79	Calculated Property
η	0.0011610	Pa×s	402.68	Calculated Property
η	0.0007759	Pa×s	430.57	Calculated Property
η	0.0005446	Pa×s	458.47	Calculated Property
η	0.0003981	Pa×s	486.36	Calculated Property
η	0.0003010	Pa×s	514.25	Calculated Property
η	0.0002343	Pa×s	542.14	Calculated Property
η	0.0001869	Pa×s	570.04	Calculated Property
η	0.0001522	Pa×s	597.93	Calculated Property
η	0.0001263	Pa×s	625.82	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-chloropropyl ethyl ester.

Sources

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

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