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

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

InChI
InChI=1S/C17H25ClO3/c1-3-4-5-6-7-8-11-21-16-10-9-14(12-15(16)18)13-17(19)20-2/h9-10,12H,3-8,11,13H2,1-2H3
InChI Key
XWBZHCRZJKWJEU-UHFFFAOYSA-N
Formula
C17H25ClO3
SMILES
CCCCCCCCOc1ccc(CC(=O)OC)cc1Cl
Molecular Weight1
312.83
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Physical Properties

Property Value Unit Source
ΔfusH° 42.80 kJ/mol Joback Calculated Property
log10WS -5.61 Relay (1.0) Calculated Property
logPoct/wat 4.795 Crippen Calculated Property
McVol 252.180 ml/mol McGowan Calculated Property
Inp [2233.40; 2233.40]   Show Hide
Inp 2233.40 NIST
Inp 2233.40 NIST
Tboil 605.70 K Relay (1.0) Calculated Property
Tfus 300.41 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [707.05; 788.41] J/mol×K [743.27; 939.49] Show Hide
Cp,gas 707.05 J/mol×K 743.27 Joback Calculated Property
Cp,gas 723.05 J/mol×K 775.97 Joback Calculated Property
Cp,gas 738.05 J/mol×K 808.68 Joback Calculated Property
Cp,gas 752.08 J/mol×K 841.38 Joback Calculated Property
Cp,gas 765.14 J/mol×K 874.08 Joback Calculated Property
Cp,gas 777.25 J/mol×K 906.79 Joback Calculated Property
Cp,gas 788.41 J/mol×K 939.49 Joback Calculated Property
η [0.0000661; 0.0008148] Pa×s [427.29; 743.27] Show Hide
η 0.0008148 Pa×s 427.29 Joback Calculated Property
η 0.0004260 Pa×s 479.95 Joback Calculated Property
η 0.0002532 Pa×s 532.62 Joback Calculated Property
η 0.0001653 Pa×s 585.28 Joback Calculated Property
η 0.0001158 Pa×s 637.94 Joback Calculated Property
η 0.0000856 Pa×s 690.61 Joback Calculated Property
η 0.0000661 Pa×s 743.27 Joback Calculated Property

Similar Compounds

(3-Chloro-4-hexyloxy-phenyl)-acetic acid, methyl ester. 4-(Octyloxy)-3-chlorophenylacetic acid. (3-Chloro-4-cyclohexylethoxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-cyclohexyloxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. (4-Hexyloxy-phenyl)-acetic acid, methyl ester. (4-pentoxy-phenyl)-acetic acid, methyl ester. (3-methoxy-4-hexyloxy-phenyl)-acetic acid, methyl ester. 2-(3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. (3-Chloro-4-phenylpropoxy-phenyl)-acetic acid, methyl ester. (4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. (3-methoxy-4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. Alclofenac. (3-Methoxy-4-hexyloxy-phenyl)-propionic acid, methyl ester.

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

Sources

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