Chemical Properties of Benzeneacetic acid, 4-chloro-«alpha»-methyl- (CAS 938-95-4)

InChI

InChI=1S/C9H9ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)

InChI Key

YOZILQVNIWNPFP-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

CC(C(=O)O)c1ccc(Cl)cc1

Molecular Weight¹

184.62

CAS

938-95-4

Other Names

• dl-p-Chloro-«alpha»-methylphenylacetic acid
• p-Chloro-«alpha»-methylphenylacetic acid
• 4-Chloro-«alpha»-methylphenylacetic acid
• «alpha»-(p-Chlorophenyl)propionic acid
• p-Chloro-methylphenyl acetic acid
• 2-(4-Chlorophenyl)propanoic acid
• DL-2-(4-chlorophenyl)propanoic acid

• 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).
• 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

Property	Value	Unit	Source
ΔfH°gas	-385.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.54	kJ/mol	Joback Calculated Property
ΔvapH°	72.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-2.20		Relay (1.0) Calculated Property
logPoct/wat	2.528		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Inp	[1455.00; 1455.00]
Inp	1455.00		NIST
Inp	1455.00		NIST
Tboil	549.54	K	Relay (1.0) Calculated Property
Tfus	351.88	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.29; 359.36]	J/mol×K	[619.68; 853.31]
Cp,gas	306.29	J/mol×K	619.68	Joback Calculated Property
Cp,gas	316.97	J/mol×K	658.62	Joback Calculated Property
Cp,gas	326.86	J/mol×K	697.56	Joback Calculated Property
Cp,gas	335.99	J/mol×K	736.50	Joback Calculated Property
Cp,gas	344.42	J/mol×K	775.43	Joback Calculated Property
Cp,gas	352.19	J/mol×K	814.37	Joback Calculated Property
Cp,gas	359.36	J/mol×K	853.31	Joback Calculated Property
η	[0.0002089; 0.0012682]	Pa×s	[405.65; 619.68]
η	0.0012682	Pa×s	405.65	Joback Calculated Property
η	0.0008316	Pa×s	441.32	Joback Calculated Property
η	0.0005808	Pa×s	476.99	Joback Calculated Property
η	0.0004264	Pa×s	512.66	Joback Calculated Property
η	0.0003259	Pa×s	548.34	Joback Calculated Property
η	0.0002574	Pa×s	584.01	Joback Calculated Property
η	0.0002089	Pa×s	619.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 4-chloro-«alpha»-methyl-.

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.