Chemical Properties of Isophthalic acid, 2,5-dichlorophenyl propyl ester

InChI

InChI=1S/C17H14Cl2O4/c1-2-8-22-16(20)11-4-3-5-12(9-11)17(21)23-15-10-13(18)6-7-14(15)19/h3-7,9-10H,2,8H2,1H3

InChI Key

ZLJOVBVIBNJLFZ-UHFFFAOYSA-N

Formula

C17H14Cl2O4

SMILES

CCCOC(=O)c1cccc(C(=O)Oc2cc(Cl)ccc2Cl)c1

Molecular Weight¹

353.20

• 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	0.8426		Relay (1.0) Calculated Property
ΔfusH°	43.83	kJ/mol	Joback Calculated Property
log10WS	-6.03		Relay (1.0) Calculated Property
logPoct/wat	4.779		Crippen Calculated Property
McVol	242.230	ml/mol	McGowan Calculated Property
Pc	1895.30	kPa	Joback Calculated Property
Inp	[2686.00; 2686.00]
Inp	2686.00		NIST
Inp	2686.00		NIST
Tboil	651.83	K	Relay (1.0) Calculated Property
Tc	915.54	K	Relay (1.0) Calculated Property
Tfus	329.04	K	Relay (1.0) Calculated Property
Vc	0.878	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	[647.31; 694.61]	J/mol×K	[848.16; 1083.54]
Cp,gas	647.31	J/mol×K	848.16	Joback Calculated Property
Cp,gas	658.38	J/mol×K	887.39	Joback Calculated Property
Cp,gas	668.13	J/mol×K	926.62	Joback Calculated Property
Cp,gas	676.61	J/mol×K	965.85	Joback Calculated Property
Cp,gas	683.83	J/mol×K	1005.08	Joback Calculated Property
Cp,gas	689.82	J/mol×K	1044.31	Joback Calculated Property
Cp,gas	694.61	J/mol×K	1083.54	Joback Calculated Property
η	[0.0000506; 0.0004719]	Pa×s	[516.25; 848.16]
η	0.0004719	Pa×s	516.25	Joback Calculated Property
η	0.0002716	Pa×s	571.57	Joback Calculated Property
η	0.0001723	Pa×s	626.89	Joback Calculated Property
η	0.0001177	Pa×s	682.20	Joback Calculated Property
η	0.0000851	Pa×s	737.52	Joback Calculated Property
η	0.0000644	Pa×s	792.84	Joback Calculated Property
η	0.0000506	Pa×s	848.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,5-dichlorophenyl propyl 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.
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