Chemical Properties of Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester

Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester

InChI
InChI=1S/C12H11ClO2/c1-3-9(2)15-12(14)8-10-4-6-11(13)7-5-10/h1,4-7,9H,8H2,2H3
InChI Key
NAZJGJYUQCSYDH-UHFFFAOYSA-N
Formula
C12H11ClO2
SMILES
C#CC(C)OC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
222.67
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Physical Properties

Property Value Unit Source
ΔfusH° 28.51 kJ/mol Joback Calculated Property
log10WS -3.38 Relay (1.0) Calculated Property
logPoct/wat 2.447 Crippen Calculated Property
McVol 167.260 ml/mol McGowan Calculated Property
Inp [1564.00; 1564.00]   Show Hide
Inp 1564.00 NIST
Inp 1564.00 NIST
Tfus 299.73 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [376.75; 443.37] J/mol×K [591.15; 819.11] Show Hide
Cp,gas 376.75 J/mol×K 591.15 Joback Calculated Property
Cp,gas 390.09 J/mol×K 629.14 Joback Calculated Property
Cp,gas 402.49 J/mol×K 667.14 Joback Calculated Property
Cp,gas 413.98 J/mol×K 705.13 Joback Calculated Property
Cp,gas 424.61 J/mol×K 743.13 Joback Calculated Property
Cp,gas 434.39 J/mol×K 781.12 Joback Calculated Property
Cp,gas 443.37 J/mol×K 819.11 Joback Calculated Property

Similar Compounds

Benzeneacetic acid, 1-methyl-2-propynyl ester. 1-Naphthaleneacetic acid, but-3-yn-2-yl ester. Benzeneacetic acid, 4-chloro-, hex-4-yn-3-yl ester. Benzeneacetic acid, 4-nitro-, but-3-yn-2-yl ester. Benzeneacetic acid 1-methylethyl ester. Phenylacetic acid, 4-chloro-, propyl ester. Benzeneacetic acid, 4-chloro-, 3-methylbut-2-en-1-yl ester. Benzeneacetic acid, 4-chloro-, tridec-2-yn-1-yl ester. Phenylacetic acid, 4-chloro-, butyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester. Phenylacetic acid, 4-chloro-, nonyl ester. Phenylacetic acid, 4-chloro-, dodecyl ester. Phenylacetic acid, 4-chloro-, heptyl ester. Phenylacetic acid, 4-chloro-, tetradecyl ester.

Find more compounds similar to Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester.

Sources

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