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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.37; 439.30]	J/mol×K	[525.08; 721.91]
Cp,gas	361.37	J/mol×K	525.08	Joback Calculated Property
Cp,gas	376.22	J/mol×K	557.89	Joback Calculated Property
Cp,gas	390.33	J/mol×K	590.69	Joback Calculated Property
Cp,gas	403.69	J/mol×K	623.50	Joback Calculated Property
Cp,gas	416.30	J/mol×K	656.30	Joback Calculated Property
Cp,gas	428.17	J/mol×K	689.11	Joback Calculated Property
Cp,gas	439.30	J/mol×K	721.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl benzenesulfonate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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