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

Benzeneacetic acid, 4-chloro-, hex-4-yn-3-yl ester

InChI
InChI=1S/C14H15ClO2/c1-3-5-13(4-2)17-14(16)10-11-6-8-12(15)9-7-11/h6-9,13H,4,10H2,1-2H3
InChI Key
XFDDAQZNPQCVJV-UHFFFAOYSA-N
Formula
C14H15ClO2
SMILES
CC#CC(CC)OC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
250.72
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Physical Properties

Property Value Unit Source
ΔfusH° 33.83 kJ/mol Joback Calculated Property
logPoct/wat 3.228 Crippen Calculated Property
McVol 195.440 ml/mol McGowan Calculated Property
Inp [1801.00; 1801.00]   Show Hide
Inp 1801.00 NIST
Inp 1801.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [260.30; 575.83] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.47320e+01
Coefficient B1.00354e+00
Coefficient C-5.38820e-04
Coefficient D8.63800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 260.30 J/mol×K 273.00 Calculated Property
Cp,gas 316.15 J/mol×K 353.78 Calculated Property
Cp,gas 366.16 J/mol×K 434.56 Calculated Property
Cp,gas 410.62 J/mol×K 515.33 Calculated Property
Cp,gas 449.78 J/mol×K 596.11 Calculated Property
Cp,gas 483.93 J/mol×K 676.89 Calculated Property
Cp,gas 513.34 J/mol×K 757.67 Calculated Property
Cp,gas 538.27 J/mol×K 838.44 Calculated Property
Cp,gas 559.01 J/mol×K 919.22 Calculated Property
Cp,gas 575.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phenylacetic acid, hex-4-yn-3-yl ester. Benzeneacetic acid, 4-chloro-, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-nitro-, hex-4-yn-3-yl ester. Benzeneacetic acid, 4-chloro-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Phenylacetic acid, 2-methyloct-5-yn-4-yl ester. Benzeneacetic acid, 4-chloro-, tridec-2-yn-1-yl ester. Phenylacetic acid, 4-chloro-, butyl ester. Hydratropic acid, hex-4-yn-3-yl ester. Phenylacetic acid, 4-chloro-, octyl ester. Phenylacetic acid, 4-chloro-, tetradecyl ester. Phenylacetic acid, 4-chloro-, undecyl ester. Phenylacetic acid, 4-chloro-, pentadecyl ester. Phenylacetic acid, 4-chloro-, nonyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester.

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

Sources

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