Chemical Properties of Isophthalic acid, isohexyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C20H19Cl3O4/c1-12(2)5-4-8-26-19(24)13-6-3-7-14(9-13)20(25)27-18-16(22)10-15(21)11-17(18)23/h3,6-7,9-12H,4-5,8H2,1-2H3

InChI Key

LVMCVVFVSMWVMX-UHFFFAOYSA-N

Formula

C20H19Cl3O4

SMILES

CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c(Cl)cc(Cl)cc2Cl)c1

Molecular Weight¹

429.72

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9596		Relay (... Calculated Property
ΔfG°	-202.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-675.38	kJ/mol	Relay (... Calculated Property
ΔfusH°	48.72	kJ/mol	Joback Calculated Property
ΔvapH°	110.11	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-7.34		Relay (... Calculated Property
logPoct/wat	6.459		Crippen Calculated Property
McVol	296.740	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[3048.00; 3048.00]
Inp	3048.00		NIST
Inp	3048.00		NIST
Tboil	661.14	K	Relay (... Calculated Property
Tc	953.26	K	Relay (... Calculated Property
Tfus	338.24	K	Relay (... Calculated Property
Vc	1.062	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[840.96; 879.60]	J/mol×K	[994.71; 1234.50]
Cp,gas	840.96	J/mol×K	994.71	Joback Calculated Property
Cp,gas	850.69	J/mol×K	1034.67	Joback Calculated Property
Cp,gas	859.06	J/mol×K	1074.64	Joback Calculated Property
Cp,gas	866.11	J/mol×K	1114.60	Joback Calculated Property
Cp,gas	871.87	J/mol×K	1154.57	Joback Calculated Property
Cp,gas	876.35	J/mol×K	1194.53	Joback Calculated Property
Cp,gas	879.60	J/mol×K	1234.50	Joback Calculated Property
η	[0.0000343; 0.0002265]	Pa×s	[637.16; 994.71]
η	0.0002265	Pa×s	637.16	Joback Calculated Property
η	0.0001446	Pa×s	696.75	Joback Calculated Property
η	0.0000991	Pa×s	756.34	Joback Calculated Property
η	0.0000717	Pa×s	815.93	Joback Calculated Property
η	0.0000543	Pa×s	875.53	Joback Calculated Property
η	0.0000425	Pa×s	935.12	Joback Calculated Property
η	0.0000343	Pa×s	994.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, isohexyl 2,4,6-trichlorophenyl 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.