Chemical Properties of 4-(Chloromethyl)benzoic acid (CAS 1642-81-5)

InChI

InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)

InChI Key

OITNBJHJJGMFBN-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

O=C(O)c1ccc(CCl)cc1

Molecular Weight¹

170.59

CAS

1642-81-5

Other Names

• «alpha»-Chloro-p-toluylic acid
• Benzoic acid, 4-(chloromethyl)-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.19; 307.22]	J/mol×K	[597.24; 830.55]
Cp,gas	260.19	J/mol×K	597.24	Joback Calculated Property
Cp,gas	269.67	J/mol×K	636.13	Joback Calculated Property
Cp,gas	278.44	J/mol×K	675.01	Joback Calculated Property
Cp,gas	286.53	J/mol×K	713.90	Joback Calculated Property
Cp,gas	294.00	J/mol×K	752.78	Joback Calculated Property
Cp,gas	300.88	J/mol×K	791.67	Joback Calculated Property
Cp,gas	307.22	J/mol×K	830.55	Joback Calculated Property
η	[0.0002455; 0.0011293]	Pa×s	[409.38; 597.24]
η	0.0011293	Pa×s	409.38	Joback Calculated Property
η	0.0008001	Pa×s	440.69	Joback Calculated Property
η	0.0005933	Pa×s	472.00	Joback Calculated Property
η	0.0004567	Pa×s	503.31	Joback Calculated Property
η	0.0003624	Pa×s	534.62	Joback Calculated Property
η	0.0002951	Pa×s	565.93	Joback Calculated Property
η	0.0002455	Pa×s	597.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(Chloromethyl)benzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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