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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.31; 685.31]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.80930e+01
Coefficient B			1.13592e+00
Coefficient C			-6.15200e-04
Coefficient D			9.65000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.31	J/mol×K	273.00	Calculated Property
Cp,gas	397.23	J/mol×K	353.78	Calculated Property
Cp,gas	453.46	J/mol×K	434.56	Calculated Property
Cp,gas	503.30	J/mol×K	515.33	Calculated Property
Cp,gas	547.06	J/mol×K	596.11	Calculated Property
Cp,gas	585.04	J/mol×K	676.89	Calculated Property
Cp,gas	617.55	J/mol×K	757.67	Calculated Property
Cp,gas	644.90	J/mol×K	838.44	Calculated Property
Cp,gas	667.38	J/mol×K	919.22	Calculated Property
Cp,gas	685.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003746; 0.0000903]	Pa×s	[558.80; 780.81]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.28945e+01
Coefficient B			2.79670e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			558.80
Temperature range, max.			780.81
η	0.0003746	Pa×s	558.80	Calculated Property
η	0.0003032	Pa×s	583.47	Calculated Property
η	0.0002496	Pa×s	608.14	Calculated Property
η	0.0002086	Pa×s	632.80	Calculated Property
η	0.0001768	Pa×s	657.47	Calculated Property
η	0.0001516	Pa×s	682.14	Calculated Property
η	0.0001313	Pa×s	706.81	Calculated Property
η	0.0001149	Pa×s	731.47	Calculated Property
η	0.0001015	Pa×s	756.14	Calculated Property
η	0.0000903	Pa×s	780.81	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.
These property values are available through the Cheméo API. A free account gives you an access key.