Chemical Properties of 2-Bromobenzoic acid, hex-4-yn-3-yl ester

2-Bromobenzoic acid, hex-4-yn-3-yl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C13H13BrO2/c1-3-7-10(4-2)16-13(15)11-8-5-6-9-12(11)14/h5-6,8-10H,4H2,1-2H3
InChI Key
MSIMTXXJZSRXDM-UHFFFAOYSA-N
Formula
C13H13BrO2
SMILES
CC#CC(CC)OC(=O)c1ccccc1Br
Molecular Weight1
281.14
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
Δf 142.12 kJ/mol Joback Calculated Property
Δfgas -38.04 kJ/mol Joback Calculated Property
Δfus 30.75 kJ/mol Joback Calculated Property
Δvap 64.83 kJ/mol Joback Calculated Property
log10WS -4.88 Crippen Calculated Property
logPoct/wat 3.408 Crippen Calculated Property
McVol 186.610 ml/mol McGowan Calculated Property
Pc 2868.87 kPa Joback Calculated Property
Inp 1758.00 NIST
Tboil 679.51 K Joback Calculated Property
Tc 924.13 K Joback Calculated Property
Tfus 498.27 K Joback Calculated Property
Vc 0.698 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [440.47; 509.37] J/mol×K [679.51; 924.13] Show Hide
Cp,gas 440.47 J/mol×K 679.51 Joback Calculated Property
Cp,gas 454.32 J/mol×K 720.28 Joback Calculated Property
Cp,gas 467.17 J/mol×K 761.05 Joback Calculated Property
Cp,gas 479.06 J/mol×K 801.82 Joback Calculated Property
Cp,gas 490.04 J/mol×K 842.59 Joback Calculated Property
Cp,gas 500.13 J/mol×K 883.36 Joback Calculated Property
Cp,gas 509.37 J/mol×K 924.13 Joback Calculated Property

Similar Compounds

3-Bromobenzoic acid, hex-4-yn-3-yl ester. 4-Bromobenzoic acid, hex-4-yn-3-yl ester. 4-Cyanobenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, di(hex-4-yn-3-yl) ester. 2-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. 1-Naphthoic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl propyl ester. 3-Fluorobenzoic acid, hex-4-yn-3-yl ester. p-Toluic acid, hex-4-yn-3-yl ester. p-Anisic acid, hex-4-yn-3-yl ester. 4-(Trifluoromethyl)benzoic acid, hex-4-yn-3-yl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl isobutyl ester. 4-Nitrobenzoic acid, hex-4-yn-3-yl ester.

Find more compounds similar to 2-Bromobenzoic 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.