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°	39.06	kJ/mol	Joback Calculated Property
ΔvapH°	108.54	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	1933.83	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	900.70	K	Relay (1.0) Calculated Property
Tfus	332.65	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	[688.43; 744.41]	J/mol×K	[869.55; 1102.44]
Cp,gas	688.43	J/mol×K	869.55	Joback Calculated Property
Cp,gas	700.80	J/mol×K	908.37	Joback Calculated Property
Cp,gas	711.92	J/mol×K	947.18	Joback Calculated Property
Cp,gas	721.82	J/mol×K	986.00	Joback Calculated Property
Cp,gas	730.53	J/mol×K	1024.81	Joback Calculated Property
Cp,gas	738.05	J/mol×K	1063.63	Joback Calculated Property
Cp,gas	744.41	J/mol×K	1102.44	Joback Calculated Property
η	[0.0000664; 0.0004102]	Pa×s	[557.26; 869.55]
η	0.0004102	Pa×s	557.26	Joback Calculated Property
η	0.0002660	Pa×s	609.31	Joback Calculated Property
η	0.0001846	Pa×s	661.36	Joback Calculated Property
η	0.0001352	Pa×s	713.40	Joback Calculated Property
η	0.0001033	Pa×s	765.45	Joback Calculated Property
η	0.0000816	Pa×s	817.50	Joback Calculated Property
η	0.0000664	Pa×s	869.55	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.