Chemical Properties of Phthalic acid, 2,4-dichlorobenzyl isobutyl ester

InChI

InChI=1S/C19H18Cl2O4/c1-12(2)10-24-18(22)15-5-3-4-6-16(15)19(23)25-11-13-7-8-14(20)9-17(13)21/h3-9,12H,10-11H2,1-2H3

InChI Key

JMLNRSVUVOCUHU-UHFFFAOYSA-N

Formula

C19H18Cl2O4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)OCc1ccc(Cl)cc1Cl

Molecular Weight¹

381.25

• 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°	45.49	kJ/mol	Joback Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	5.163		Crippen Calculated Property
McVol	270.410	ml/mol	McGowan Calculated Property
Inp	[2566.00; 2566.00]
Inp	2566.00		NIST
Inp	2566.00		NIST
Tboil	667.64	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	[758.73; 806.90]	J/mol×K	[893.48; 1126.58]
Cp,gas	758.73	J/mol×K	893.48	Joback Calculated Property
Cp,gas	770.13	J/mol×K	932.33	Joback Calculated Property
Cp,gas	780.14	J/mol×K	971.18	Joback Calculated Property
Cp,gas	788.79	J/mol×K	1010.03	Joback Calculated Property
Cp,gas	796.11	J/mol×K	1048.88	Joback Calculated Property
Cp,gas	802.13	J/mol×K	1087.73	Joback Calculated Property
Cp,gas	806.90	J/mol×K	1126.58	Joback Calculated Property
η	[0.0000346; 0.0004244]	Pa×s	[523.79; 893.48]
η	0.0004244	Pa×s	523.79	Joback Calculated Property
η	0.0002243	Pa×s	585.40	Joback Calculated Property
η	0.0001339	Pa×s	647.02	Joback Calculated Property
η	0.0000874	Pa×s	708.63	Joback Calculated Property
η	0.0000611	Pa×s	770.25	Joback Calculated Property
η	0.0000450	Pa×s	831.87	Joback Calculated Property
η	0.0000346	Pa×s	893.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,4-dichlorobenzyl 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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