Chemical Properties of 4-Benzyloxy-3-chlorophenylacetic acid (CAS 60736-70-1)

InChI

InChI=1S/C15H13ClO3/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)

InChI Key

DFHBBMJTBBLQSA-UHFFFAOYSA-N

Formula

C15H13ClO3

SMILES

O=C(O)Cc1ccc(OCc2ccccc2)c(Cl)c1

Molecular Weight¹

276.71

CAS

60736-70-1

Other Names

• [3-chloro-4-(phenylmethoxy)phenyl]acetic acid

• 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).
• 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).
• 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
ΔfusH°	37.44	kJ/mol	Joback Calculated Property
ΔvapH°	111.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	3.546		Crippen Calculated Property
McVol	200.240	ml/mol	McGowan Calculated Property
Pc	2522.65	kPa	Joback Calculated Property
Inp	[2207.00; 2207.00]
Inp	2207.00		NIST
Inp	2207.00		NIST
Tboil	631.92	K	Relay (1.0) Calculated Property
Tfus	386.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[541.23; 597.25]	J/mol×K	[811.48; 1053.37]
Cp,gas	541.23	J/mol×K	811.48	Joback Calculated Property
Cp,gas	552.95	J/mol×K	851.79	Joback Calculated Property
Cp,gas	563.64	J/mol×K	892.11	Joback Calculated Property
Cp,gas	573.35	J/mol×K	932.42	Joback Calculated Property
Cp,gas	582.15	J/mol×K	972.74	Joback Calculated Property
Cp,gas	590.10	J/mol×K	1013.05	Joback Calculated Property
Cp,gas	597.25	J/mol×K	1053.37	Joback Calculated Property
η	[0.0000883; 0.0004444]	Pa×s	[549.44; 811.48]
η	0.0004444	Pa×s	549.44	Joback Calculated Property
η	0.0003074	Pa×s	593.11	Joback Calculated Property
η	0.0002237	Pa×s	636.79	Joback Calculated Property
η	0.0001696	Pa×s	680.46	Joback Calculated Property
η	0.0001329	Pa×s	724.13	Joback Calculated Property
η	0.0001071	Pa×s	767.81	Joback Calculated Property
η	0.0000883	Pa×s	811.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Benzyloxy-3-chlorophenylacetic acid.

Sources

• Cheméo Relay (1.0)
• 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.
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