Chemical Properties of m-Toluic acid, hex-4-yn-3-yl ester

m-Toluic acid, hex-4-yn-3-yl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C14H16O2/c1-4-7-13(5-2)16-14(15)12-9-6-8-11(3)10-12/h6,8-10,13H,5H2,1-3H3
InChI Key
OANBDRKPBKUOIH-UHFFFAOYSA-N
Formula
C14H16O2
SMILES
CC#CC(CC)OC(=O)c1cccc(C)c1
Molecular Weight1
216.28
Other Names
  • m-toluylic acid, hex-4-yn-3-yl ester
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 136.22 kJ/mol Joback Calculated Property
Δfgas -85.01 kJ/mol Joback Calculated Property
Δfus 28.05 kJ/mol Joback Calculated Property
Δvap 60.62 kJ/mol Joback Calculated Property
log10WS -4.19 Crippen Calculated Property
logPoct/wat 2.954 Crippen Calculated Property
McVol 183.200 ml/mol McGowan Calculated Property
Pc 2421.88 kPa Joback Calculated Property
Inp [1667.60; 1667.60]   Show Hide
Inp 1667.60 NIST
Inp 1667.60 NIST
Tboil 636.23 K Joback Calculated Property
Tc 864.73 K Joback Calculated Property
Tfus 449.74 K Joback Calculated Property
Vc 0.692 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [452.85; 534.01] J/mol×K [636.23; 864.73] Show Hide
Cp,gas 452.85 J/mol×K 636.23 Joback Calculated Property
Cp,gas 468.77 J/mol×K 674.31 Joback Calculated Property
Cp,gas 483.70 J/mol×K 712.40 Joback Calculated Property
Cp,gas 497.67 J/mol×K 750.48 Joback Calculated Property
Cp,gas 510.69 J/mol×K 788.57 Joback Calculated Property
Cp,gas 522.80 J/mol×K 826.65 Joback Calculated Property
Cp,gas 534.01 J/mol×K 864.73 Joback Calculated Property

Similar Compounds

Isophthalic acid, di(hex-4-yn-3-yl) ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. p-Toluic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl propyl ester. o-Toluic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl isobutyl ester. Isophthalic acid, butyl hex-4-yn-3-yl ester. 3-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, hex-4-yn-3-yl pentyl ester. 4-Ethylbenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl hexyl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. 3-Fluorobenzoic acid, hex-4-yn-3-yl ester. 4-Cyanobenzoic acid, hex-4-yn-3-yl ester.

Find more compounds similar to m-Toluic 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.