Chemical Properties of (Phenylthio)acetic acid, hex-4-yn-3-yl ester

(Phenylthio)acetic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C14H16O2S/c1-3-8-12(4-2)16-14(15)11-17-13-9-6-5-7-10-13/h5-7,9-10,12H,4,11H2,1-2H3
InChI Key
MILNALODDHZVED-UHFFFAOYSA-N
Formula
C14H16O2S
SMILES
CC#CC(CC)OC(=O)CSc1ccccc1
Molecular Weight1
248.35
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Physical Properties

Property Value Unit Source
ΔfusH° 34.15 kJ/mol Joback Calculated Property
logPoct/wat 3.124 Crippen Calculated Property
McVol 199.550 ml/mol McGowan Calculated Property
Inp [1829.00; 1829.00]   Show Hide
Inp 1829.00 NIST
Inp 1829.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [503.81; 581.40] J/mol×K [682.16; 924.39] Show Hide
Cp,gas 503.81 J/mol×K 682.16 Joback Calculated Property
Cp,gas 519.77 J/mol×K 722.53 Joback Calculated Property
Cp,gas 534.48 J/mol×K 762.90 Joback Calculated Property
Cp,gas 547.96 J/mol×K 803.27 Joback Calculated Property
Cp,gas 560.26 J/mol×K 843.65 Joback Calculated Property
Cp,gas 571.40 J/mol×K 884.02 Joback Calculated Property
Cp,gas 581.40 J/mol×K 924.39 Joback Calculated Property

Similar Compounds

(Phenylthio)acetic acid, 2-methyloct-5-yn-4-yl ester. (Phenylthio)acetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. (Phenylthio)acetic acid, cyclobutyl ester. (Phenylthio)acetic acid, 3-tridecyl ester. (Phenylthio)acetic acid, 3-pentadecyl ester. (Phenylthio)acetic acid, 5-tridecyl ester. (Phenylthio)acetic acid, 4-hexadecyl ester. (Phenylthio)acetic acid, 5-tetradecyl ester. (Phenylthio)acetic acid, 4-tridecyl ester. (Phenylthio)acetic acid, cyclopentyl ester. (Phenylthio)acetic acid, cyclohexyl ester. (Phenylthio)acetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. (Phenylthio)acetic acid, but-3-yn-2-yl ester. (Phenylthio)acetic acid, dodec-9-ynyl ester. (Phenylthio)acetic acid, 2-ethylcyclohexyl ester.

Find more compounds similar to (Phenylthio)acetic acid, hex-4-yn-3-yl ester.

Sources

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