Chemical Properties of ETHANESULFONIC ACID, 2-AMINO-

InChI

InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

InChI Key

XOAAWQZATWQOTB-UHFFFAOYSA-N

Formula

C2H7NO3S

SMILES

NCCS(=O)(=O)O

Molecular Weight¹

125.15

Other Names

• 2-aminoethanesulfonic acid
• Aminoethanesulfonic acid
• O-Due
• taurine
• «beta»-Aminoethylsulfonic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.80; 246.38]	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			4.60920e+01
Coefficient B			3.23290e-01
Coefficient C			-9.32000e-05
Coefficient D			-2.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.80	J/mol×K	273.00	Calculated Property
Cp,gas	147.48	J/mol×K	353.78	Calculated Property
Cp,gas	166.53	J/mol×K	434.56	Calculated Property
Cp,gas	183.86	J/mol×K	515.33	Calculated Property
Cp,gas	199.38	J/mol×K	596.11	Calculated Property
Cp,gas	212.98	J/mol×K	676.89	Calculated Property
Cp,gas	224.57	J/mol×K	757.67	Calculated Property
Cp,gas	234.07	J/mol×K	838.44	Calculated Property
Cp,gas	241.37	J/mol×K	919.22	Calculated Property
Cp,gas	246.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to ETHANESULFONIC ACID, 2-AMINO-.

Mixtures

• ETHANESULFONIC ACID, 2-AMINO- + Water
• ETHANESULFONIC ACID, 2-AMINO- + Methyl Alcohol + Water
• Ethanol + ETHANESULFONIC ACID, 2-AMINO- + Water
• 2-Propanol + ETHANESULFONIC ACID, 2-AMINO- + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Determination and Correlation of the Solubility for Taurine in Water and Organic Solvent Systems
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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