Chemical Properties of o-Toluic acid, 2-methyloct-5-yn-4-yl ester

o-Toluic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C17H22O2/c1-5-6-10-15(12-13(2)3)19-17(18)16-11-8-7-9-14(16)4/h7-9,11,13,15H,5,12H2,1-4H3
InChI Key
KSYYDHHACWSADT-UHFFFAOYSA-N
Formula
C17H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccccc1C
Molecular Weight1
258.36
Other Names
  • o-toluylic acid, 2-methyloct-5-yn-4-yl ester
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Physical Properties

Property Value Unit Source
Δf 159.04 kJ/mol Joback Calculated Property
Δfgas -152.21 kJ/mol Joback Calculated Property
Δfus 32.30 kJ/mol Joback Calculated Property
Δvap 66.91 kJ/mol Joback Calculated Property
log10WS -5.20 Crippen Calculated Property
logPoct/wat 3.980 Crippen Calculated Property
McVol 225.470 ml/mol McGowan Calculated Property
Pc 1870.79 kPa Joback Calculated Property
Inp [1809.30; 1809.30]   Show Hide
Inp 1809.30 NIST
Inp 1809.30 NIST
Tboil 704.43 K Joback Calculated Property
Tc 925.13 K Joback Calculated Property
Tfus 468.55 K Joback Calculated Property
Vc 0.854 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [610.91; 700.21] J/mol×K [704.43; 925.13] Show Hide
Cp,gas 610.91 J/mol×K 704.43 Joback Calculated Property
Cp,gas 628.49 J/mol×K 741.21 Joback Calculated Property
Cp,gas 644.95 J/mol×K 778.00 Joback Calculated Property
Cp,gas 660.32 J/mol×K 814.78 Joback Calculated Property
Cp,gas 674.63 J/mol×K 851.56 Joback Calculated Property
Cp,gas 687.92 J/mol×K 888.35 Joback Calculated Property
Cp,gas 700.21 J/mol×K 925.13 Joback Calculated Property

Similar Compounds

o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. 2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to o-Toluic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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