Chemical Properties of Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester

Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester

InChI
InChI=1S/C16H17BrO4/c1-3-5-13(4-2)20-15(18)10-11-16(19)21-14-8-6-12(17)7-9-14/h6-9,13H,4,10-11H2,1-2H3
InChI Key
IMRSSGLAQWGJFY-UHFFFAOYSA-N
Formula
C16H17BrO4
SMILES
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
353.21
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° 44.47 kJ/mol Joback Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
logPoct/wat 3.480 Crippen Calculated Property
McVol 236.320 ml/mol McGowan Calculated Property
Inp [2331.00; 2331.00]   Show Hide
Inp 2331.00 NIST
Inp 2331.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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 [629.07; 691.42] J/mol×K [788.50; 1018.41] Show Hide
Cp,gas 629.07 J/mol×K 788.50 Joback Calculated Property
Cp,gas 642.38 J/mol×K 826.82 Joback Calculated Property
Cp,gas 654.49 J/mol×K 865.14 Joback Calculated Property
Cp,gas 665.42 J/mol×K 903.45 Joback Calculated Property
Cp,gas 675.21 J/mol×K 941.77 Joback Calculated Property
Cp,gas 683.86 J/mol×K 980.09 Joback Calculated Property
Cp,gas 691.42 J/mol×K 1018.41 Joback Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 4-bromophenyl ester. Succinic acid, hex-4-yn-3-yl 3-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 2-naphthyl ester. Succinic acid, hex-4-yn-3-yl 4-biphenyl ester. Succinic acid, hex-4-yn-3-yl 3-fluorophenyl ester. Succinic acid, hex-4-yn-3-yl 2-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 3,5-dichlorophenyl ester. Succinic acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-fluoro-2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-bromo-4-fluorophenyl ester. Succinic acid, hex-4-yn-3-yl 3-nitrophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-biphenyl ester.

Find more compounds similar to Succinic acid, hex-4-yn-3-yl 4-bromophenyl 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.