Chemical Properties of Terephthalic acid, 2-chloropropyl heptadecyl ester

InChI

InChI=1S/C28H45ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(30)25-18-20-26(21-19-25)28(31)33-23-24(2)29/h18-21,24H,3-17,22-23H2,1-2H3

InChI Key

HLPYNBDEQKURGT-UHFFFAOYSA-N

Formula

C28H45ClO4

SMILES

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

Molecular Weight¹

481.12

• 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	[590.53; 1367.34]	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			1.98570e+01
Coefficient B			2.42854e+00
Coefficient C			-1.29796e-03
Coefficient D			2.16900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	590.53	J/mol×K	273.00	Calculated Property
Cp,gas	726.17	J/mol×K	353.78	Calculated Property
Cp,gas	847.89	J/mol×K	434.56	Calculated Property
Cp,gas	956.35	J/mol×K	515.33	Calculated Property
Cp,gas	1052.25	J/mol×K	596.11	Calculated Property
Cp,gas	1136.28	J/mol×K	676.89	Calculated Property
Cp,gas	1209.12	J/mol×K	757.67	Calculated Property
Cp,gas	1271.45	J/mol×K	838.44	Calculated Property
Cp,gas	1323.96	J/mol×K	919.22	Calculated Property
Cp,gas	1367.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002785; 0.0000176]	Pa×s	[543.84; 881.57]	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			-1.53899e+01
Coefficient B			3.91766e+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.			543.84
Temperature range, max.			881.57
η	0.0002785	Pa×s	543.84	Calculated Property
η	0.0001749	Pa×s	581.37	Calculated Property
η	0.0001163	Pa×s	618.89	Calculated Property
η	0.0000810	Pa×s	656.42	Calculated Property
η	0.0000586	Pa×s	693.94	Calculated Property
η	0.0000439	Pa×s	731.47	Calculated Property
η	0.0000338	Pa×s	768.99	Calculated Property
η	0.0000267	Pa×s	806.52	Calculated Property
η	0.0000215	Pa×s	844.04	Calculated Property
η	0.0000176	Pa×s	881.57	Calculated Property

Similar Compounds

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

Sources

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

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