Chemical Properties of Isophthalic acid, 4-chlorophenyl ethyl ester

InChI

InChI=1S/C16H13ClO4/c1-2-20-15(18)11-4-3-5-12(10-11)16(19)21-14-8-6-13(17)7-9-14/h3-10H,2H2,1H3

InChI Key

QZPCJKASLCLXHE-UHFFFAOYSA-N

Formula

C16H13ClO4

SMILES

CCOC(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2)c1

Molecular Weight¹

304.73

• 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	0.7654		Relay (1.0) Calculated Property
ΔfH°gas	-567.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.43	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-5.08		Relay (1.0) Calculated Property
logPoct/wat	3.736		Crippen Calculated Property
McVol	215.900	ml/mol	McGowan Calculated Property
Pc	2165.35	kPa	Joback Calculated Property
Inp	[2451.00; 2451.00]
Inp	2451.00		NIST
Inp	2451.00		NIST
Tboil	645.73	K	Relay (1.0) Calculated Property
Tc	890.14	K	Relay (1.0) Calculated Property
Tfus	326.35	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	[573.22; 628.97]	J/mol×K	[782.87; 1018.82]
Cp,gas	573.22	J/mol×K	782.87	Joback Calculated Property
Cp,gas	585.67	J/mol×K	822.20	Joback Calculated Property
Cp,gas	596.82	J/mol×K	861.52	Joback Calculated Property
Cp,gas	606.70	J/mol×K	900.85	Joback Calculated Property
Cp,gas	615.34	J/mol×K	940.17	Joback Calculated Property
Cp,gas	622.75	J/mol×K	979.50	Joback Calculated Property
Cp,gas	628.97	J/mol×K	1018.82	Joback Calculated Property
η	[0.0000661; 0.0007407]	Pa×s	[462.54; 782.87]
η	0.0007407	Pa×s	462.54	Joback Calculated Property
η	0.0004020	Pa×s	515.93	Joback Calculated Property
η	0.0002446	Pa×s	569.32	Joback Calculated Property
η	0.0001621	Pa×s	622.70	Joback Calculated Property
η	0.0001147	Pa×s	676.09	Joback Calculated Property
η	0.0000853	Pa×s	729.48	Joback Calculated Property
η	0.0000661	Pa×s	782.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 4-chlorophenyl ethyl ester.

Sources

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

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