Chemical Properties of S-Hydroxymethylthiobenzoate

InChI

InChI=1S/C8H8O2S/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2

InChI Key

MNTZJQAAOYSCMM-UHFFFAOYSA-N

Formula

C8H8O2S

SMILES

O=C(SCO)c1ccccc1

Molecular Weight¹

168.22

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.86; 347.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.03900e+00
Coefficient B			6.85290e-01
Coefficient C			-4.14100e-04
Coefficient D			8.26600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.86	J/mol×K	273.00	Calculated Property
Cp,gas	188.23	J/mol×K	353.78	Calculated Property
Cp,gas	220.34	J/mol×K	434.56	Calculated Property
Cp,gas	248.45	J/mol×K	515.33	Calculated Property
Cp,gas	272.83	J/mol×K	596.11	Calculated Property
Cp,gas	293.73	J/mol×K	676.89	Calculated Property
Cp,gas	311.42	J/mol×K	757.67	Calculated Property
Cp,gas	326.15	J/mol×K	838.44	Calculated Property
Cp,gas	338.20	J/mol×K	919.22	Calculated Property
Cp,gas	347.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to S-Hydroxymethylthiobenzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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