Chemical Properties of 5-chlorovaleric acid, hex-4-yn-3-yl ester

5-chlorovaleric acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C11H17ClO2/c1-3-7-10(4-2)14-11(13)8-5-6-9-12/h10H,4-6,8-9H2,1-2H3
InChI Key
PVSFHUUTAKAGCC-UHFFFAOYSA-N
Formula
C11H17ClO2
SMILES
CC#CC(CC)OC(=O)CCCCCl
Molecular Weight1
216.71
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Physical Properties

Property Value Unit Source
ΔfH°gas -348.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.41 kJ/mol Joback Calculated Property
ΔvapH° 71.71 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.741 Crippen Calculated Property
McVol 176.930 ml/mol McGowan Calculated Property
Inp [1524.50; 1524.50]   Show Hide
Inp 1524.50 NIST
Inp 1524.50 NIST
Tboil 504.51 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [251.36; 542.62] 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 A4.70650e+01
Coefficient B8.56940e-01
Coefficient C-4.11460e-04
Coefficient D5.00800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.36 J/mol×K 273.00 Calculated Property
Cp,gas 300.95 J/mol×K 353.78 Calculated Property
Cp,gas 345.86 J/mol×K 434.56 Calculated Property
Cp,gas 386.26 J/mol×K 515.33 Calculated Property
Cp,gas 422.29 J/mol×K 596.11 Calculated Property
Cp,gas 454.13 J/mol×K 676.89 Calculated Property
Cp,gas 481.92 J/mol×K 757.67 Calculated Property
Cp,gas 505.83 J/mol×K 838.44 Calculated Property
Cp,gas 526.01 J/mol×K 919.22 Calculated Property
Cp,gas 542.63 J/mol×K 1000.00 Calculated Property

Similar Compounds

valeric acid, hex-4-yn-3-yl ester. Hexanoic acid, hex-4-yn-3-yl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Octanoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 10-chlorodecyl ester. Glutaric acid, hex-4-yn-3-yl 8-chlorooctyl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. 5-Bromovaleric acid, hex-4-yn-3-yl ester. Undec-10-ynoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. Succinic acid, hex-4-yn-3-yl 10-chlorodecyl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. 5-Chlorovaleric acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl propyl ester.

Find more compounds similar to 5-chlorovaleric acid, hex-4-yn-3-yl ester.

Sources

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