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

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

InChI
InChI=1S/C17H19BrO4/c1-3-6-14(4-2)21-16(19)7-5-8-17(20)22-15-11-9-13(18)10-12-15/h9-12,14H,4-5,7-8H2,1-2H3
InChI Key
XDBCSDVGZSIQAW-UHFFFAOYSA-N
Formula
C17H19BrO4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
367.24
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° 47.06 kJ/mol Joback Calculated Property
logPoct/wat 3.870 Crippen Calculated Property
McVol 250.410 ml/mol McGowan Calculated Property
Inp [2441.00; 2441.00]   Show Hide
Inp 2441.00 NIST
Inp 2441.00 NIST
Tfus 334.48 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, 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 [340.86; 739.51] 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 A4.27140e+01
Coefficient B1.26514e+00
Coefficient C-6.58420e-04
Coefficient D9.00800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 340.86 J/mol×K 273.00 Calculated Property
Cp,gas 411.87 J/mol×K 353.78 Calculated Property
Cp,gas 475.54 J/mol×K 434.56 Calculated Property
Cp,gas 532.16 J/mol×K 515.33 Calculated Property
Cp,gas 581.99 J/mol×K 596.11 Calculated Property
Cp,gas 625.34 J/mol×K 676.89 Calculated Property
Cp,gas 662.48 J/mol×K 757.67 Calculated Property
Cp,gas 693.70 J/mol×K 838.44 Calculated Property
Cp,gas 719.28 J/mol×K 919.22 Calculated Property
Cp,gas 739.51 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-biphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 3-chlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 1-naphthyl ester. Glutaric acid, hex-4-yn-3-yl 3-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-nitrophenyl ester. Glutaric acid, but-3-yl-2-yn 4-bromophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-acetylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2,4-dichlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 2,6-dimethoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester.

Find more compounds similar to Glutaric 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.