Chemical Properties of Phenyl 5-chloro-2-hydroxybenzoate (CAS 10268-65-2)

InChI

InChI=1S/C13H9ClO3/c14-9-6-7-12(15)11(8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H

InChI Key

ZHBKKKBMTBXYNH-UHFFFAOYSA-N

Formula

C13H9ClO3

SMILES

O=C(Oc1ccccc1)c1cc(Cl)ccc1O

Molecular Weight¹

248.66

CAS

10268-65-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[215.93; 488.72]	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			-3.30600e+01
Coefficient B			1.12810e+00
Coefficient C			-8.60920e-04
Coefficient D			2.54600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.93	J/mol×K	273.00	Calculated Property
Cp,gas	269.56	J/mol×K	353.78	Calculated Property
Cp,gas	315.48	J/mol×K	434.56	Calculated Property
Cp,gas	354.50	J/mol×K	515.33	Calculated Property
Cp,gas	387.42	J/mol×K	596.11	Calculated Property
Cp,gas	415.04	J/mol×K	676.89	Calculated Property
Cp,gas	438.18	J/mol×K	757.67	Calculated Property
Cp,gas	457.64	J/mol×K	838.44	Calculated Property
Cp,gas	474.22	J/mol×K	919.22	Calculated Property
Cp,gas	488.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002677; 0.0000156]	Pa×s	[485.60; 692.08]	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			-1.77479e+01
Coefficient B			4.62392e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			485.60
Temperature range, max.			692.08
η	0.0002677	Pa×s	485.60	Calculated Property
η	0.0001742	Pa×s	508.54	Calculated Property
η	0.0001176	Pa×s	531.48	Calculated Property
η	0.0000821	Pa×s	554.43	Calculated Property
η	0.0000589	Pa×s	577.37	Calculated Property
η	0.0000434	Pa×s	600.31	Calculated Property
η	0.0000327	Pa×s	623.25	Calculated Property
η	0.0000251	Pa×s	646.20	Calculated Property
η	0.0000196	Pa×s	669.14	Calculated Property
η	0.0000156	Pa×s	692.08	Calculated Property

Similar Compounds

Find more compounds similar to Phenyl 5-chloro-2-hydroxybenzoate.

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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