Chemical Properties of Probenecid Me, #1

Probenecid Me, #1

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InChI
InChI=1S/C14H21NO4S/c1-4-10-15(11-5-2)20(17,18)13-8-6-12(7-9-13)14(16)19-3/h6-9H,4-5,10-11H2,1-3H3
InChI Key
YLVGRYMYFMKKCB-UHFFFAOYSA-N
Formula
C14H21NO4S
SMILES
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OC)cc1
Molecular Weight1
299.39
Sources

Physical Properties

Property Value Unit Source
Δf -421.90 kJ/mol Joback Calculated Property
Δfgas -737.85 kJ/mol Joback Calculated Property
Δfus 42.85 kJ/mol Joback Calculated Property
Δvap 79.53 kJ/mol Joback Calculated Property
logPoct/wat 2.28 Crippen Calculated Property
Pc 2386.52 kPa Joback Calculated Property
Tboil 687.89 K Joback Calculated Property
Tc 881.54 K Joback Calculated Property
Tfus 429.67 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 622.48 J/mol×K 687.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 3
=CH- (ring) 4
-S- 1
=C< (ring) 2
-CH2- 4
=O 2
>C=O (nonring) 1
>N- 1

Similar Compounds

P-(dipropylsulfamoyl) benzoic acid. Benzenesulfonamide, 4-methyl-N-ethyl-N-hexyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-undecyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-tetradecyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-nonyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-decyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-dodecyl-. N,n-bis(2-chloroethyl)-p-toluenesulfonamide. N-n-butyl-p-toluene sulfonamide. P-toluenesulfonamide, n-(4-acetamidobutyl)-. Benzenesulfonamide, 4-methylcarbonyl-N,N-dimethyl-. P-toluenesulfonamide, n,n'-(1,4-cyclohexylene)bis[n-(2-hydroxyethyl)-, diacetate. P-sulfamoylbenzoic acid. N-(2-Methoxypropionyl)-4,N-dimethyl-benzenesulfonamide. 4-Toluenesulfonamide, n-ethyl-.

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