Chemical Properties of Isophthalic acid, 8-chloroctyl isohexyl ester

InChI

InChI=1S/C22H33ClO4/c1-18(2)11-10-16-27-22(25)20-13-9-12-19(17-20)21(24)26-15-8-6-4-3-5-7-14-23/h9,12-13,17-18H,3-8,10-11,14-16H2,1-2H3

InChI Key

ZHQFRDCEPFXFJT-UHFFFAOYSA-N

Formula

C22H33ClO4

SMILES

CC(C)CCCOC(=O)c1cccc(C(=O)OCCCCCCCCCl)c1

Molecular Weight¹

396.95

• 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).
• 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	1.0925		Relay (1.0) Calculated Property
ΔfH°gas	-930.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.64	kJ/mol	Joback Calculated Property
ΔvapH°	107.20	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	6.016		Crippen Calculated Property
McVol	324.200	ml/mol	McGowan Calculated Property
Pc	1148.32	kPa	Joback Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST
Tboil	664.26	K	Relay (1.0) Calculated Property
Tc	879.36	K	Relay (1.0) Calculated Property
Tfus	301.57	K	Relay (1.0) Calculated Property
Vc	1.192	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[1024.82; 1098.78]	J/mol×K	[923.99; 1134.49]
Cp,gas	1024.82	J/mol×K	923.99	Joback Calculated Property
Cp,gas	1040.24	J/mol×K	959.07	Joback Calculated Property
Cp,gas	1054.38	J/mol×K	994.16	Joback Calculated Property
Cp,gas	1067.27	J/mol×K	1029.24	Joback Calculated Property
Cp,gas	1078.94	J/mol×K	1064.32	Joback Calculated Property
Cp,gas	1089.43	J/mol×K	1099.41	Joback Calculated Property
Cp,gas	1098.78	J/mol×K	1134.49	Joback Calculated Property
η	[0.0000321; 0.0004300]	Pa×s	[535.88; 923.99]
η	0.0004300	Pa×s	535.88	Joback Calculated Property
η	0.0002211	Pa×s	600.56	Joback Calculated Property
η	0.0001294	Pa×s	665.25	Joback Calculated Property
η	0.0000832	Pa×s	729.93	Joback Calculated Property
η	0.0000575	Pa×s	794.62	Joback Calculated Property
η	0.0000421	Pa×s	859.30	Joback Calculated Property
η	0.0000321	Pa×s	923.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 8-chloroctyl isohexyl 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.