Chemical Properties of Isophthalic acid, 2,4-dichlorophenyl isohexyl ester

InChI

InChI=1S/C20H20Cl2O4/c1-13(2)5-4-10-25-19(23)14-6-3-7-15(11-14)20(24)26-18-9-8-16(21)12-17(18)22/h3,6-9,11-13H,4-5,10H2,1-2H3

InChI Key

VMYLWAJWBFLGPD-UHFFFAOYSA-N

Formula

C20H20Cl2O4

SMILES

CC(C)CCCOC(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2Cl)c1

Molecular Weight¹

395.28

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.92	kJ/mol	Joback Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	5.806		Crippen Calculated Property
McVol	284.500	ml/mol	McGowan Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	667.66	K	Relay (1.0) Calculated Property
Tfus	321.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[823.54; 871.89]	J/mol×K	[952.30; 1187.41]
Cp,gas	823.54	J/mol×K	952.30	Joback Calculated Property
Cp,gas	834.82	J/mol×K	991.49	Joback Calculated Property
Cp,gas	844.76	J/mol×K	1030.67	Joback Calculated Property
Cp,gas	853.41	J/mol×K	1069.86	Joback Calculated Property
Cp,gas	860.79	J/mol×K	1109.04	Joback Calculated Property
Cp,gas	866.94	J/mol×K	1148.23	Joback Calculated Property
Cp,gas	871.89	J/mol×K	1187.41	Joback Calculated Property
η	[0.0000395; 0.0003024]	Pa×s	[594.72; 952.30]
η	0.0003024	Pa×s	594.72	Joback Calculated Property
η	0.0001846	Pa×s	654.32	Joback Calculated Property
η	0.0001223	Pa×s	713.91	Joback Calculated Property
η	0.0000864	Pa×s	773.51	Joback Calculated Property
η	0.0000641	Pa×s	833.11	Joback Calculated Property
η	0.0000495	Pa×s	892.70	Joback Calculated Property
η	0.0000395	Pa×s	952.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,4-dichlorophenyl isohexyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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