Chemical Properties of Isophthalic acid, 2,3-dichlorophenyl ester hehyl

InChI

InChI=1S/C20H20Cl2O4/c1-2-3-4-5-12-25-19(23)14-8-6-9-15(13-14)20(24)26-17-11-7-10-16(21)18(17)22/h6-11,13H,2-5,12H2,1H3

InChI Key

TUJVJBIUCUMFDC-UHFFFAOYSA-N

Formula

C20H20Cl2O4

SMILES

CCCCCCOC(=O)c1cccc(C(=O)Oc2cccc(Cl)c2Cl)c1

Molecular Weight¹

395.28

• 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	0.9749		Relay (1.0) Calculated Property
ΔfusH°	51.60	kJ/mol	Joback Calculated Property
log10WS	-6.94		Relay (1.0) Calculated Property
logPoct/wat	5.950		Crippen Calculated Property
McVol	284.500	ml/mol	McGowan Calculated Property
Pc	1496.51	kPa	Joback Calculated Property
Inp	[3061.00; 3061.00]
Inp	3061.00		NIST
Inp	3061.00		NIST
Tboil	674.24	K	Relay (1.0) Calculated Property
Tc	947.75	K	Relay (1.0) Calculated Property
Tfus	318.29	K	Relay (1.0) Calculated Property
Vc	1.039	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	[814.71; 863.02]	J/mol×K	[916.80; 1145.32]
Cp,gas	814.71	J/mol×K	916.80	Joback Calculated Property
Cp,gas	826.06	J/mol×K	954.89	Joback Calculated Property
Cp,gas	836.04	J/mol×K	992.97	Joback Calculated Property
Cp,gas	844.69	J/mol×K	1031.06	Joback Calculated Property
Cp,gas	852.05	J/mol×K	1069.15	Joback Calculated Property
Cp,gas	858.15	J/mol×K	1107.24	Joback Calculated Property
Cp,gas	863.02	J/mol×K	1145.32	Joback Calculated Property
η	[0.0000327; 0.0003421]	Pa×s	[550.06; 916.80]
η	0.0003421	Pa×s	550.06	Joback Calculated Property
η	0.0001902	Pa×s	611.18	Joback Calculated Property
η	0.0001176	Pa×s	672.31	Joback Calculated Property
η	0.0000788	Pa×s	733.43	Joback Calculated Property
η	0.0000562	Pa×s	794.55	Joback Calculated Property
η	0.0000420	Pa×s	855.68	Joback Calculated Property
η	0.0000327	Pa×s	916.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,3-dichlorophenyl ester hehyl.

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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