Chemical Properties of 2-Butene-1,4-disulfonic acid, dimethyl ester (cis and trans) (CAS 70886-56-5)

InChI

InChI=1S/C6H12O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-4H,5-6H2,1-2H3/b4-3+

InChI Key

ROPXCSBPIJQJTK-ONEGZZNKSA-N

Formula

C6H12O6S2

SMILES

CS(=O)(=O)OCC=CCOS(C)(=O)=O

Molecular Weight¹

244.29

CAS

70886-56-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.60; 473.75]	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			1.00732e+02
Coefficient B			5.34620e-01
Coefficient C			-3.32000e-05
Coefficient D			-1.28400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.60	J/mol×K	273.00	Calculated Property
Cp,gas	280.03	J/mol×K	353.78	Calculated Property
Cp,gas	316.25	J/mol×K	434.56	Calculated Property
Cp,gas	349.85	J/mol×K	515.33	Calculated Property
Cp,gas	380.43	J/mol×K	596.11	Calculated Property
Cp,gas	407.58	J/mol×K	676.89	Calculated Property
Cp,gas	430.89	J/mol×K	757.67	Calculated Property
Cp,gas	449.96	J/mol×K	838.44	Calculated Property
Cp,gas	464.38	J/mol×K	919.22	Calculated Property
Cp,gas	473.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene-1,4-disulfonic acid, dimethyl ester (cis and trans).

Sources

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

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