Chemical Properties of Butyl benzenesulfonate (CAS 80-44-4)

Butyl benzenesulfonate

InChI
InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key
NIKBCKTWWPVAIC-UHFFFAOYSA-N
Formula
C10H14O3S
SMILES
CCCCOS(=O)(=O)c1ccccc1
Molecular Weight1
214.28
CAS
80-44-4
Other Names
  • Benzenesulfonic acid, butyl ester
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Physical Properties

Property Value Unit Source
ω 0.5868 Relay (1.0) Calculated Property
ΔfH°gas -461.86 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.26 kJ/mol Joback Calculated Property
ΔvapH° 79.67 kJ/mol Relay (1.0) Calculated Property
IE 9.42 eV Relay (1.0) Calculated Property
log10WS -3.05 Relay (1.0) Calculated Property
logPoct/wat 2.192 Crippen Calculated Property
McVol 161.960 ml/mol McGowan Calculated Property
Pc 3423.86 kPa Joback Calculated Property
Inp 1682.00 NIST
Tboil 574.11 K Relay (1.0) Calculated Property
Tc 774.68 K Relay (1.0) Calculated Property
Tfus 259.48 K Relay (1.0) Calculated Property
Vc 0.585 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [361.46; 439.39] J/mol×K [525.28; 722.19] Show Hide
Cp,gas 361.46 J/mol×K 525.28 Joback Calculated Property
Cp,gas 376.32 J/mol×K 558.10 Joback Calculated Property
Cp,gas 390.42 J/mol×K 590.92 Joback Calculated Property
Cp,gas 403.78 J/mol×K 623.73 Joback Calculated Property
Cp,gas 416.39 J/mol×K 656.55 Joback Calculated Property
Cp,gas 428.26 J/mol×K 689.37 Joback Calculated Property
Cp,gas 439.39 J/mol×K 722.19 Joback Calculated Property

Similar Compounds

Benzenesulfonic acid, 4-methyl-, butyl ester. ETHYL BENZENESULFONATE. Benzenesulfonic acid, 4-methyl-, 2-methylpropyl ester. Toluene-4-sulfonic acid, cyclohexyl ester. Gamma-chloro-n-propyl-p-toluene sulfonate. Trans-1,2-cyclopentanediol bis-p-toluene sulfonate. (2S)-Glycidyl tosylate. Hydroxyacetone p-Toluenesulfonate. (-)-1,4-DI-O-TOSYL-2,3-O-ISOPROPYLIDENE-L-THREITOL. BENZENESULFONIC ACID, 4-METHYL-, 1-METHYLETHYL ESTER. Benzenesulfonic acid, 4-methyl-, ethyl ester. Ethanol, 2-chloro-, 4-methylbenzenesulfonate. ETHYLENE GLYCOL DI-P-TOSYLATE. P-toluenesulfonic acid, 2-fluoroethyl ester. N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide.

Find more compounds similar to Butyl benzenesulfonate.

Sources

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