Chemical Properties of 1-Methyl-4-(1-propynyl-sulphonyl)benzene (CAS 14027-53-3)

1-Methyl-4-(1-propynyl-sulphonyl)benzene

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InChI
InChI=1S/C10H10O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h4-7H,1-2H3
InChI Key
VOSCFWYOCZJNQB-UHFFFAOYSA-N
Formula
C10H10O2S
SMILES
CC#CS(=O)(=O)c1ccc(C)cc1
Molecular Weight1
194.25
CAS
14027-53-3
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5873.30 ± 3.20 kJ/mol NIST
Δf -129.64 kJ/mol Joback Calculated Property
Δfgas 10.40 ± 4.20 kJ/mol NIST
Δfsolid -93.00 ± 3.30 kJ/mol NIST
Δfus 29.81 kJ/mol Joback Calculated Property
Δsub 103.00 ± 3.00 kJ/mol NIST
Δvap 61.58 kJ/mol Joback Calculated Property
logPoct/wat 1.75 Crippen Calculated Property
Pc 4178.49 kPa Joback Calculated Property
Tboil 516.64 K Joback Calculated Property
Tc 742.91 K Joback Calculated Property
Tfus 386.06 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 302.39 J/mol×K 516.64 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 4
#C- 2
=C< (ring) 2
-S- 1
=O 2
-CH3 2

Similar Compounds

Phenyl prop-1-ynyl sulphone. Benzene, 1-methyl-4-(methylsulfonyl)-. 4-(CH3SO2)-C6H4-CN. P-methylsulfonylbenzyl chloride. Benzene, 1-(ethenylsulfonyl)-4-methyl-. 1-Methyl-4-(2-propynyl-sulphonyl)benzene. Methyl 4-methylphenylsulfoxide. P-toluenesulfonylacetonitrile. (E)-1-Methyl-4-(1-propenyl-sulphonyl)-benzene. p-Tolyl propadienyl sulphone. 2-Butenyl p-tolyl sulphone. But-1-enyl-p-tolyl sulphone. 3-Butenyl p-tolyl sulphone. 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene. 1-Methyl-4-(1-methyl-ethnenylsulphonyl)benzene.

Find more compounds similar to 1-Methyl-4-(1-propynyl-sulphonyl)benzene.

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