Chemical Properties of Benzoic acid, 2-(2-methylbutyl)thio-, 2-methylbutyl ester

Benzoic acid, 2-(2-methylbutyl)thio-, 2-methylbutyl ester

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InChI
InChI=1S/C17H26O2S/c1-5-13(3)11-19-17(18)15-9-7-8-10-16(15)20-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
InChI Key
QTPKZYRJHJPEAC-UHFFFAOYSA-N
Formula
C17H26O2S
SMILES
CCC(C)COC(=O)c1ccccc1SCC(C)CC
Molecular Weight1
294.45
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Physical Properties

Property Value Unit Source
Δf -10.64 kJ/mol Joback Calculated Property
Δfgas -382.64 kJ/mol Joback Calculated Property
Δfus 33.31 kJ/mol Joback Calculated Property
Δvap 71.57 kJ/mol Joback Calculated Property
log10WS -5.32 Crippen Calculated Property
logPoct/wat 5.028 Crippen Calculated Property
McVol 250.420 ml/mol McGowan Calculated Property
Pc 1659.19 kPa Joback Calculated Property
Inp [2108.00; 2108.00]   Show Hide
Inp 2108.00 NIST
Inp 2108.00 NIST
Tboil 764.21 K Joback Calculated Property
Tc 978.68 K Joback Calculated Property
Tfus 396.85 K Joback Calculated Property
Vc 0.946 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [717.88; 803.63] J/mol×K [764.21; 978.68] Show Hide
Cp,gas 717.88 J/mol×K 764.21 Joback Calculated Property
Cp,gas 735.04 J/mol×K 799.95 Joback Calculated Property
Cp,gas 751.02 J/mol×K 835.70 Joback Calculated Property
Cp,gas 765.84 J/mol×K 871.44 Joback Calculated Property
Cp,gas 779.53 J/mol×K 907.19 Joback Calculated Property
Cp,gas 792.12 J/mol×K 942.93 Joback Calculated Property
Cp,gas 803.63 J/mol×K 978.68 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(3-methylbutyl)thio-, 3-methylbutyl ester. Benzoic acid, 3-(2-methylbutyl)thio-, 2-methylbutyl ester. Benzoic acid, 2-(butylthio)-, butyl ester. Benzoic acid, 2-(pentylthio)-, pentyl ester. Benzoic acid, 2-(2-methylpropyl)thio-, 2-methylpropyl ester. Benzoic acid, 4-(2-methylbutyl)thio-, 2-methylbutyl ester. Benzoic acid, 2-(2-methylbutyl)thio-, methyl ester. 5-O-benzoyl-n-benzyl-2,3-o-(1-methylethylidene)-n-(trifluoroacetyl)pentofuranosylamine. Levophacetoperane. N-Acetylnornarcotine. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me). Uridine, 2'-O-TBDMS, 3',5'-bis-O-TFA. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl. cis-1,2-Tetralinediol, ferrocenylboronate. Benazepril Me.

Find more compounds similar to Benzoic acid, 2-(2-methylbutyl)thio-, 2-methylbutyl ester.

Sources

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