Chemical Properties of 4-Butylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C17H14Cl4O2/c1-2-3-4-10-5-7-11(8-6-10)17(22)23-16-13(19)9-12(18)14(20)15(16)21/h5-9H,2-4H2,1H3

InChI Key

VJFPTLHFDFYZGH-UHFFFAOYSA-N

Formula

C17H14Cl4O2

SMILES

CCCCc1ccc(C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2Cl)cc1

Molecular Weight¹

392.10

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.08	kJ/mol	Joback Calculated Property
logPoct/wat	6.862		Crippen Calculated Property
McVol	259.270	ml/mol	McGowan Calculated Property
Inp	[2809.00; 2809.00]
Inp	2809.00		NIST
Inp	2809.00		NIST
Tfus	330.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, Log10 of Water solubility in mol/l 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	[655.59; 703.63]	J/mol×K	[874.76; 1115.44]
Cp,gas	655.59	J/mol×K	874.76	Joback Calculated Property
Cp,gas	666.29	J/mol×K	914.87	Joback Calculated Property
Cp,gas	675.87	J/mol×K	954.99	Joback Calculated Property
Cp,gas	684.35	J/mol×K	995.10	Joback Calculated Property
Cp,gas	691.78	J/mol×K	1035.22	Joback Calculated Property
Cp,gas	698.20	J/mol×K	1075.33	Joback Calculated Property
Cp,gas	703.63	J/mol×K	1115.44	Joback Calculated Property
η	[0.0000614; 0.0003746]	Pa×s	[558.80; 874.76]
η	0.0003746	Pa×s	558.80	Joback Calculated Property
η	0.0002434	Pa×s	611.46	Joback Calculated Property
η	0.0001694	Pa×s	664.12	Joback Calculated Property
η	0.0001243	Pa×s	716.78	Joback Calculated Property
η	0.0000952	Pa×s	769.44	Joback Calculated Property
η	0.0000754	Pa×s	822.10	Joback Calculated Property
η	0.0000614	Pa×s	874.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylbenzoic acid, 2,3,4,6-tetrachlorophenyl 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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