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

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

InChI
InChI=1S/C16H21ClO3/c1-19-16(18)10-13-7-8-15(14(17)9-13)20-11-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3
InChI Key
KXICENYJWTTXKL-UHFFFAOYSA-N
Formula
C16H21ClO3
SMILES
COC(=O)Cc1ccc(OCC2CCCCC2)c(Cl)c1
Molecular Weight1
296.79
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 32.05 kJ/mol Joback Calculated Property
log10WS -4.90 Relay (1.0) Calculated Property
logPoct/wat 4.015 Crippen Calculated Property
McVol 227.230 ml/mol McGowan Calculated Property
Inp 2224.70 NIST
Tboil 632.00 K Relay (1.0) Calculated Property
Tfus 308.32 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 [645.21; 731.37] J/mol×K [739.94; 966.03] Show Hide
Cp,gas 645.21 J/mol×K 739.94 Joback Calculated Property
Cp,gas 663.02 J/mol×K 777.62 Joback Calculated Property
Cp,gas 679.43 J/mol×K 815.30 Joback Calculated Property
Cp,gas 694.45 J/mol×K 852.99 Joback Calculated Property
Cp,gas 708.09 J/mol×K 890.67 Joback Calculated Property
Cp,gas 720.39 J/mol×K 928.35 Joback Calculated Property
Cp,gas 731.37 J/mol×K 966.03 Joback Calculated Property
η [0.0000789; 0.0010429] Pa×s [423.40; 739.94] Show Hide
η 0.0010429 Pa×s 423.40 Joback Calculated Property
η 0.0005344 Pa×s 476.16 Joback Calculated Property
η 0.0003129 Pa×s 528.91 Joback Calculated Property
η 0.0002019 Pa×s 581.67 Joback Calculated Property
η 0.0001401 Pa×s 634.43 Joback Calculated Property
η 0.0001028 Pa×s 687.18 Joback Calculated Property
η 0.0000789 Pa×s 739.94 Joback Calculated Property

Similar Compounds

(3-Chloro-4-cyclohexylethoxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-octyloxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-hexyloxy-phenyl)-acetic acid, methyl ester. (3-Chloro-4-cyclohexyloxy-phenyl)-acetic acid, methyl ester. (4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. 2-(3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. (3-methoxy-4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. 4-(Octyloxy)-3-chlorophenylacetic acid. (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. (3-methoxy-4-hexyloxy-phenyl)-acetic acid, methyl ester. 3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, methyl ester. (4-Hexyloxy-phenyl)-acetic acid, methyl ester. Exaprolol, HFB. Exaprolol. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid.

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

Sources

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.