Chemical Properties of (3-Chloro-4-phenylpropoxy-phenyl)-acetic acid, methyl ester

(3-Chloro-4-phenylpropoxy-phenyl)-acetic acid, methyl ester

InChI
InChI=1S/C17H17ClO3/c1-20-17(19)12-14-7-8-16(15(18)11-14)21-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChI Key
KUQVOMJTSZJNMM-UHFFFAOYSA-N
Formula
C17H17ClO3
SMILES
COC(=O)Cc1ccc(OCCc2ccccc2)c(Cl)c1
Molecular Weight1
304.77
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Physical Properties

Property Value Unit Source
ΔfusH° 36.84 kJ/mol Joback Calculated Property
ΔvapH° 105.26 kJ/mol Relay (1.0) Calculated Property
IE 8.05 eV Relay (1.0) Calculated Property
log10WS -4.66 Relay (1.0) Calculated Property
logPoct/wat 3.677 Crippen Calculated Property
McVol 228.420 ml/mol McGowan Calculated Property
Inp 2428.30 NIST
Tboil 635.73 K Relay (1.0) Calculated Property
Tfus 310.73 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [618.65; 687.77] J/mol×K [769.95; 998.35] Show Hide
Cp,gas 618.65 J/mol×K 769.95 Joback Calculated Property
Cp,gas 633.17 J/mol×K 808.02 Joback Calculated Property
Cp,gas 646.45 J/mol×K 846.08 Joback Calculated Property
Cp,gas 658.52 J/mol×K 884.15 Joback Calculated Property
Cp,gas 669.41 J/mol×K 922.22 Joback Calculated Property
Cp,gas 679.15 J/mol×K 960.28 Joback Calculated Property
Cp,gas 687.77 J/mol×K 998.35 Joback Calculated Property
η [0.0000671; 0.0006802] Pa×s [453.71; 769.95] Show Hide
η 0.0006802 Pa×s 453.71 Joback Calculated Property
η 0.0003782 Pa×s 506.42 Joback Calculated Property
η 0.0002349 Pa×s 559.12 Joback Calculated Property
η 0.0001584 Pa×s 611.83 Joback Calculated Property
η 0.0001137 Pa×s 664.54 Joback Calculated Property
η 0.0000857 Pa×s 717.24 Joback Calculated Property
η 0.0000671 Pa×s 769.95 Joback Calculated Property

Similar Compounds

(3-Chloro-4-hexyloxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-octyloxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-cyclohexyloxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-cyclohexylethoxy-phenyl)-acetic acid, methyl ester. 4-(Octyloxy)-3-chlorophenylacetic acid. (3-Chloro-4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. Alclofenac. 4-Isopropoxy-3-chlorophenylacetic acid. 2-(3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester. 2-(3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. (1S,2R)-2-(4-Allyl-2-methoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-ethyloxy-phenyl)propanoic acid, ethyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-butyloxy-phenyl)propanoic acid, butyl ester. (1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propan-1-ol. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1 -(3,4-dimethoxy-phenyl)-propan-1-ol, TES.

Find more compounds similar to (3-Chloro-4-phenylpropoxy-phenyl)-acetic acid, methyl ester.

Sources

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