Chemical Properties of (Phenylthio)acetic acid, 2-methyloct-5-yn-4-yl ester

(Phenylthio)acetic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C17H22O2S/c1-4-5-9-15(12-14(2)3)19-17(18)13-20-16-10-7-6-8-11-16/h6-8,10-11,14-15H,4,12-13H2,1-3H3
InChI Key
YBZPKHKRWRYUIK-UHFFFAOYSA-N
Formula
C17H22O2S
SMILES
CCC#CC(CC(C)C)OC(=O)CSc1ccccc1
Molecular Weight1
290.43
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Physical Properties

Property Value Unit Source
ΔfusH° 38.40 kJ/mol Joback Calculated Property
logPoct/wat 4.150 Crippen Calculated Property
McVol 241.820 ml/mol McGowan Calculated Property
Inp [2022.00; 2022.00]   Show Hide
Inp 2022.00 NIST
Inp 2022.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [665.11; 748.20] J/mol×K [750.36; 983.10] Show Hide
Cp,gas 665.11 J/mol×K 750.36 Joback Calculated Property
Cp,gas 682.23 J/mol×K 789.15 Joback Calculated Property
Cp,gas 697.99 J/mol×K 827.94 Joback Calculated Property
Cp,gas 712.42 J/mol×K 866.73 Joback Calculated Property
Cp,gas 725.58 J/mol×K 905.52 Joback Calculated Property
Cp,gas 737.49 J/mol×K 944.31 Joback Calculated Property
Cp,gas 748.20 J/mol×K 983.10 Joback Calculated Property

Similar Compounds

(Phenylthio)acetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. (Phenylthio)acetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. (Phenylthio)acetic acid, 2-ethylcyclohexyl ester. (Phenylthio)acetic acid, 1-cyclopentylethyl ester. (Phenylthio)acetic acid, hex-4-yn-3-yl 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. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to (Phenylthio)acetic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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