Chemical Properties of Terephthalic acid, 4-chloro-2-methylbenzyl octyl ester

InChI

InChI=1S/C24H29ClO4/c1-3-4-5-6-7-8-15-28-23(26)19-9-11-20(12-10-19)24(27)29-17-21-13-14-22(25)16-18(21)2/h9-14,16H,3-8,15,17H2,1-2H3

InChI Key

PWLGSHWEKRDQEW-UHFFFAOYSA-N

Formula

C24H29ClO4

SMILES

CCCCCCCCOC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2C)cc1

Molecular Weight¹

416.94

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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

Property	Value	Unit	Source
ω	1.0703		Relay (1.0) Calculated Property
ΔfusH°	57.77	kJ/mol	Joback Calculated Property
log10WS	-7.27		Relay (1.0) Calculated Property
logPoct/wat	6.523		Crippen Calculated Property
McVol	328.620	ml/mol	McGowan Calculated Property
Pc	1163.25	kPa	Joback Calculated Property
Inp	[2728.00; 2728.00]
Inp	2728.00		NIST
Inp	2728.00		NIST
Tboil	701.11	K	Relay (1.0) Calculated Property
Tc	944.92	K	Relay (1.0) Calculated Property
Tfus	313.21	K	Relay (1.0) Calculated Property
Vc	1.209	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1025.68; 1081.37]	J/mol×K	[970.89; 1195.31]
Cp,gas	1025.68	J/mol×K	970.89	Joback Calculated Property
Cp,gas	1038.55	J/mol×K	1008.29	Joback Calculated Property
Cp,gas	1049.92	J/mol×K	1045.70	Joback Calculated Property
Cp,gas	1059.84	J/mol×K	1083.10	Joback Calculated Property
Cp,gas	1068.36	J/mol×K	1120.50	Joback Calculated Property
Cp,gas	1075.52	J/mol×K	1157.91	Joback Calculated Property
Cp,gas	1081.37	J/mol×K	1195.31	Joback Calculated Property
η	[0.0000212; 0.0002683]	Pa×s	[565.22; 970.89]
η	0.0002683	Pa×s	565.22	Joback Calculated Property
η	0.0001402	Pa×s	632.83	Joback Calculated Property
η	0.0000830	Pa×s	700.44	Joback Calculated Property
η	0.0000539	Pa×s	768.05	Joback Calculated Property
η	0.0000376	Pa×s	835.67	Joback Calculated Property
η	0.0000276	Pa×s	903.28	Joback Calculated Property
η	0.0000212	Pa×s	970.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4-chloro-2-methylbenzyl octyl ester.

Sources

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

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