please re-login

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
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
ΔfH°gas -348.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.83 kJ/mol Joback Calculated Property
ΔvapH° 70.49 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [409.42; 483.94] J/mol×K [573.36; 773.06] Show Hide
Cp,gas 409.42 J/mol×K 573.36 Joback Calculated Property
Cp,gas 423.46 J/mol×K 606.64 Joback Calculated Property
Cp,gas 436.84 J/mol×K 639.93 Joback Calculated Property
Cp,gas 449.56 J/mol×K 673.21 Joback Calculated Property
Cp,gas 461.65 J/mol×K 706.49 Joback Calculated Property
Cp,gas 473.11 J/mol×K 739.78 Joback Calculated Property
Cp,gas 483.94 J/mol×K 773.06 Joback 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

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.