Chemical Properties of 5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C16H25BrO2/c1-5-8-14(4)15(11-10-13(2)3)19-16(18)9-6-7-12-17/h14-15H,2,5-9,12H2,1,3-4H3
InChI Key
NSQUUHNKUHSLAD-UHFFFAOYSA-N
Formula
C16H25BrO2
SMILES
C=C(C)C#CC(OC(=O)CCCCBr)C(C)CCC
Molecular Weight1
329.27
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° 38.75 kJ/mol Joback Calculated Property
logPoct/wat 4.479 Crippen Calculated Property
McVol 248.340 ml/mol McGowan Calculated Property
Inp [1914.00; 1914.00]   Show Hide
Inp 1914.00 NIST
Inp 1914.00 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, 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 [659.89; 745.76] J/mol×K [712.61; 916.84] Show Hide
Cp,gas 659.89 J/mol×K 712.61 Joback Calculated Property
Cp,gas 676.40 J/mol×K 746.65 Joback Calculated Property
Cp,gas 691.98 J/mol×K 780.69 Joback Calculated Property
Cp,gas 706.68 J/mol×K 814.73 Joback Calculated Property
Cp,gas 720.51 J/mol×K 848.76 Joback Calculated Property
Cp,gas 733.53 J/mol×K 882.80 Joback Calculated Property
Cp,gas 745.76 J/mol×K 916.84 Joback Calculated Property

Similar Compounds

6-Bromohexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Bromobutanoic acid, 2,6-dimethylnon-1-en-3--yn-5-yl ester. Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Octanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Glutaric acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Butanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 3-methylbut-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 5-chlorovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, but-3-yn-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Glutaric acid, hept-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2-methylpent-3-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester.

Find more compounds similar to 5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-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.
These property values are available through the Cheméo API. A free account gives you an access key.