Chemical Properties of 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester (CAS 18643-84-0)

InChI

InChI=1S/C10H9ClO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3

InChI Key

FUFFCPIFRICMFH-UHFFFAOYSA-N

Formula

C10H9ClO4

SMILES

COC(=O)c1ccc(C(=O)OC)c(Cl)c1

Molecular Weight¹

228.63

CAS

18643-84-0

Other Names

• dimethyl 2-chloroterephthalate

• 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).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.54; 435.12]	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			5.22000e+01
Coefficient B			6.53140e-01
Coefficient C			-2.48520e-04
Coefficient D			-2.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.54	J/mol×K	273.00	Calculated Property
Cp,gas	251.20	J/mol×K	353.78	Calculated Property
Cp,gas	287.31	J/mol×K	434.56	Calculated Property
Cp,gas	319.82	J/mol×K	515.33	Calculated Property
Cp,gas	348.64	J/mol×K	596.11	Calculated Property
Cp,gas	373.71	J/mol×K	676.89	Calculated Property
Cp,gas	394.96	J/mol×K	757.67	Calculated Property
Cp,gas	412.32	J/mol×K	838.44	Calculated Property
Cp,gas	425.73	J/mol×K	919.22	Calculated Property
Cp,gas	435.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014537; 0.0001687]	Pa×s	[368.50; 586.76]	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			-1.23239e+01
Coefficient B			2.13370e+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.			368.50
Temperature range, max.			586.76
η	0.0014537	Pa×s	368.50	Calculated Property
η	0.0010167	Pa×s	392.75	Calculated Property
η	0.0007413	Pa×s	417.00	Calculated Property
η	0.0005596	Pa×s	441.25	Calculated Property
η	0.0004350	Pa×s	465.51	Calculated Property
η	0.0003466	Pa×s	489.76	Calculated Property
η	0.0002822	Pa×s	514.01	Calculated Property
η	0.0002341	Pa×s	538.26	Calculated Property
η	0.0001973	Pa×s	562.51	Calculated Property
η	0.0001687	Pa×s	586.76	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenedicarboxylic acid, 2-chloro-, dimethyl ester.

Sources

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

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