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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [221.78; 504.44] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.86330e+01
Coefficient B8.45310e-01
Coefficient C-3.74800e-04
Coefficient D1.53000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 221.78 J/mol×K 273.00 Calculated Property
Cp,gas 271.45 J/mol×K 353.78 Calculated Property
Cp,gas 316.45 J/mol×K 434.56 Calculated Property
Cp,gas 356.81 J/mol×K 515.33 Calculated Property
Cp,gas 392.59 J/mol×K 596.11 Calculated Property
Cp,gas 423.83 J/mol×K 676.89 Calculated Property
Cp,gas 450.59 J/mol×K 757.67 Calculated Property
Cp,gas 472.92 J/mol×K 838.44 Calculated Property
Cp,gas 490.85 J/mol×K 919.22 Calculated Property
Cp,gas 504.44 J/mol×K 1000.00 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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