Chemical Properties of Phthalic acid, 2,5-dichlorophenyl isobutyl ester

InChI

InChI=1S/C18H16Cl2O4/c1-11(2)10-23-17(21)13-5-3-4-6-14(13)18(22)24-16-9-12(19)7-8-15(16)20/h3-9,11H,10H2,1-2H3

InChI Key

STAZZNAMXXZGHF-UHFFFAOYSA-N

Formula

C18H16Cl2O4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

367.22

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.74	kJ/mol	Joback Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	5.025		Crippen Calculated Property
McVol	256.320	ml/mol	McGowan Calculated Property
Inp	[2512.00; 2512.00]
Inp	2512.00		NIST
Inp	2512.00		NIST
Tboil	651.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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	[709.90; 757.72]	J/mol×K	[906.54; 1145.54]
Cp,gas	709.90	J/mol×K	906.54	Joback Calculated Property
Cp,gas	721.00	J/mol×K	946.37	Joback Calculated Property
Cp,gas	730.81	J/mol×K	986.21	Joback Calculated Property
Cp,gas	739.36	J/mol×K	1026.04	Joback Calculated Property
Cp,gas	746.68	J/mol×K	1065.87	Joback Calculated Property
Cp,gas	752.79	J/mol×K	1105.71	Joback Calculated Property
Cp,gas	757.72	J/mol×K	1145.54	Joback Calculated Property
η	[0.0000527; 0.0003726]	Pa×s	[572.18; 906.54]
η	0.0003726	Pa×s	572.18	Joback Calculated Property
η	0.0002327	Pa×s	627.91	Joback Calculated Property
η	0.0001569	Pa×s	683.63	Joback Calculated Property
η	0.0001123	Pa×s	739.36	Joback Calculated Property
η	0.0000842	Pa×s	795.09	Joback Calculated Property
η	0.0000656	Pa×s	850.81	Joback Calculated Property
η	0.0000527	Pa×s	906.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,5-dichlorophenyl isobutyl 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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