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

InChI

InChI=1S/C18H17ClO4/c1-3-22-17(20)13-4-6-14(7-5-13)18(21)23-11-15-8-9-16(19)10-12(15)2/h4-10H,3,11H2,1-2H3

InChI Key

XMFVVKCQWDNAFJ-UHFFFAOYSA-N

Formula

C18H17ClO4

SMILES

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

Molecular Weight¹

332.78

• 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

Property	Value	Unit	Source
ω	0.8129		Relay (1.0) Calculated Property
ΔfH°gas	-607.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.23	kJ/mol	Joback Calculated Property
ΔvapH°	109.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	4.182		Crippen Calculated Property
McVol	244.080	ml/mol	McGowan Calculated Property
Pc	1801.56	kPa	Joback Calculated Property
Inp	[2740.00; 2740.00]
Inp	2740.00		NIST
Inp	2740.00		NIST
Tboil	659.00	K	Relay (1.0) Calculated Property
Tc	902.11	K	Relay (1.0) Calculated Property
Tfus	326.12	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.67; 737.32]	J/mol×K	[833.61; 1063.17]
Cp,gas	680.67	J/mol×K	833.61	Joback Calculated Property
Cp,gas	693.35	J/mol×K	871.87	Joback Calculated Property
Cp,gas	704.70	J/mol×K	910.13	Joback Calculated Property
Cp,gas	714.75	J/mol×K	948.39	Joback Calculated Property
Cp,gas	723.52	J/mol×K	986.65	Joback Calculated Property
Cp,gas	731.03	J/mol×K	1024.91	Joback Calculated Property
Cp,gas	737.32	J/mol×K	1063.17	Joback Calculated Property
η	[0.0000507; 0.0005185]	Pa×s	[497.60; 833.61]
η	0.0005185	Pa×s	497.60	Joback Calculated Property
η	0.0002894	Pa×s	553.60	Joback Calculated Property
η	0.0001798	Pa×s	609.60	Joback Calculated Property
η	0.0001210	Pa×s	665.61	Joback Calculated Property
η	0.0000866	Pa×s	721.61	Joback Calculated Property
η	0.0000650	Pa×s	777.61	Joback Calculated Property
η	0.0000507	Pa×s	833.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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