Chemical Properties of Chloroacetic acid, 2-naphthyl ester

InChI

InChI=1S/C12H9ClO2/c13-8-12(14)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2

InChI Key

DQHZHTWQJQJIKE-UHFFFAOYSA-N

Formula

C12H9ClO2

SMILES

O=C(CCl)Oc1ccc2ccccc2c1

Molecular Weight¹

220.66

• 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).
• IE : Ionization energy (eV).
• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[194.09; 442.45]	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			-2.07690e+01
Coefficient B			9.53700e-01
Coefficient C			-6.55680e-04
Coefficient D			1.65200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.09	J/mol×K	273.00	Calculated Property
Cp,gas	241.88	J/mol×K	353.78	Calculated Property
Cp,gas	283.41	J/mol×K	434.56	Calculated Property
Cp,gas	319.19	J/mol×K	515.33	Calculated Property
Cp,gas	349.74	J/mol×K	596.11	Calculated Property
Cp,gas	375.60	J/mol×K	676.89	Calculated Property
Cp,gas	397.27	J/mol×K	757.67	Calculated Property
Cp,gas	415.29	J/mol×K	838.44	Calculated Property
Cp,gas	430.18	J/mol×K	919.22	Calculated Property
Cp,gas	442.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016750; 0.0002882]	Pa×s	[368.89; 599.91]	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			-1.09624e+01
Coefficient B			1.68600e+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.			368.89
Temperature range, max.			599.91
η	0.0016750	Pa×s	368.89	Calculated Property
η	0.0012442	Pa×s	394.56	Calculated Property
η	0.0009584	Pa×s	420.23	Calculated Property
η	0.0007607	Pa×s	445.90	Calculated Property
η	0.0006192	Pa×s	471.57	Calculated Property
η	0.0005148	Pa×s	497.24	Calculated Property
η	0.0004359	Pa×s	522.90	Calculated Property
η	0.0003749	Pa×s	548.57	Calculated Property
η	0.0003267	Pa×s	574.24	Calculated Property
η	0.0002882	Pa×s	599.91	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 2-naphthyl 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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