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

InChI

InChI=1S/C11H8Cl4O2/c12-6-4-7(13)10(9(15)8(6)14)17-11(16)5-2-1-3-5/h4-5H,1-3H2

InChI Key

QKTJMHLJOJEOJB-UHFFFAOYSA-N

Formula

C11H8Cl4O2

SMILES

O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)C1CCC1

Molecular Weight¹

313.99

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.92	kJ/mol	Joback Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	5.006		Crippen Calculated Property
McVol	187.630	ml/mol	McGowan Calculated Property
Inp	[2064.00; 2064.00]
Inp	2064.00		NIST
Inp	2064.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.40; 478.85]	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			3.77900e+01
Coefficient B			8.45600e-01
Coefficient C			-4.98440e-04
Coefficient D			9.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.40	J/mol×K	273.00	Calculated Property
Cp,gas	278.72	J/mol×K	353.78	Calculated Property
Cp,gas	318.83	J/mol×K	434.56	Calculated Property
Cp,gas	354.04	J/mol×K	515.33	Calculated Property
Cp,gas	384.63	J/mol×K	596.11	Calculated Property
Cp,gas	410.91	J/mol×K	676.89	Calculated Property
Cp,gas	433.18	J/mol×K	757.67	Calculated Property
Cp,gas	451.73	J/mol×K	838.44	Calculated Property
Cp,gas	466.85	J/mol×K	919.22	Calculated Property
Cp,gas	478.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011281; 0.0003115]	Pa×s	[466.66; 674.77]	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			-1.09596e+01
Coefficient B			1.94711e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			466.66
Temperature range, max.			674.77
η	0.0011281	Pa×s	466.66	Calculated Property
η	0.0009264	Pa×s	489.78	Calculated Property
η	0.0007744	Pa×s	512.91	Calculated Property
η	0.0006574	Pa×s	536.03	Calculated Property
η	0.0005657	Pa×s	559.15	Calculated Property
η	0.0004927	Pa×s	582.27	Calculated Property
η	0.0004336	Pa×s	605.40	Calculated Property
η	0.0003852	Pa×s	628.52	Calculated Property
η	0.0003451	Pa×s	651.64	Calculated Property
η	0.0003115	Pa×s	674.77	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic 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

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