Chemical Properties of Cyclamic acid (CAS 100-88-9)

InChI

InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)

InChI Key

HCAJEUSONLESMK-UHFFFAOYSA-N

Formula

C6H13NO3S

SMILES

O=S(=O)(O)NC1CCCCC1

Molecular Weight¹

179.24

CAS

100-88-9

Other Names

• Cyclamate
• Cyclohexanesulfamic acid
• Cyclohexanesulphamic acid
• Cyclohexylamidosulfuric acid
• Cyclohexylamidosulphuric acid
• Cyclohexylaminesulfonic acid
• Cyclohexylaminesulphonic acid
• Cyclohexylsulfamic acid
• Cyclohexylsulphamic acid
• Hexamic acid
• N-Cyclohexylsulfamic acid
• N-Cyclohexylsulphamic acid
• NSC 220327
• Polycat 200
• Sucaryl
• Sucaryl acid
• Sulfamic acid, N-cyclohexyl-
• Sulfamic acid, cyclohexyl-
• Zyklamat

• C_p,gas : Ideal gas 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.34; 438.74]	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			-3.08500e+01
Coefficient B			8.39690e-01
Coefficient C			-3.97000e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.34	J/mol×K	273.00	Calculated Property
Cp,gas	217.72	J/mol×K	353.78	Calculated Property
Cp,gas	261.28	J/mol×K	434.56	Calculated Property
Cp,gas	300.12	J/mol×K	515.33	Calculated Property
Cp,gas	334.32	J/mol×K	596.11	Calculated Property
Cp,gas	363.97	J/mol×K	676.89	Calculated Property
Cp,gas	389.15	J/mol×K	757.67	Calculated Property
Cp,gas	409.95	J/mol×K	838.44	Calculated Property
Cp,gas	426.45	J/mol×K	919.22	Calculated Property
Cp,gas	438.74	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclamic acid.

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)
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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