Chemical Properties of 3-Mercapto-2-pentanone, PFBO # 1

3-Mercapto-2-pentanone, PFBO # 1

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InChI
InChI=1S/C12H12F5NOS/c1-3-7(20)5(2)18-19-4-6-8(13)10(15)12(17)11(16)9(6)14/h7,20H,3-4H2,1-2H3
InChI Key
NTTWHZVTGURFAX-UHFFFAOYSA-N
Formula
C12H12F5NOS
SMILES
CCC(S)C(C)=NOCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
313.29
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Physical Properties

Property Value Unit Source
ΔfH°gas -1118.97 kJ/mol Joback Calculated Property
ΔvapH° 55.96 kJ/mol Joback Calculated Property
log10WS -5.53 Crippen Calculated Property
logPoct/wat 3.983 Crippen Calculated Property
McVol 192.930 ml/mol McGowan Calculated Property
Pc 1759.49 kPa Joback Calculated Property
Inp 1526.00 NIST
I 1954.00 NIST
Tboil 683.29 K Joback Calculated Property
Tc 880.39 K Joback Calculated Property

Similar Compounds

3-Mercapto-2-pentanone, PFBO # 2. 3-Mercapto-2-butanone, PFBO # 1. 3-Mercapto-3-methyl-2-pentanone, PFBO # 1. 2-Nonanone, PFBO # 2. 2-Nonanone, PFBO # 1. 2-Octanone oxime, o-[(pentafluorophenyl)methyl]-. 2-Octanone, PFBO # 1. 2-Butanone, 3-methylthio, PFBO # 2. 2-Butanone, 3-methylthio, PFBO # 1. Tetrahydrothiophen-3-one, 2-methyl, PFBO # 1. Tetrahydrothiophen-3-one, 2-methyl, PFBO # 2. 2-Ketohexanoic acid pfbo-tms. Hexanal, 3-methylthio, PFBO # 1. Succinylacetone, O-pentafluorobenzyloxime, TMS. Octanoic acid, 2-oxo, O-pentafluorobenzyloxime, TMS.

Find more compounds similar to 3-Mercapto-2-pentanone, PFBO # 1.

Sources

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