Chemical Properties of Urea, (2-mercaptoethyl)-

InChI

InChI=1S/C3H8N2OS/c4-3(6)5-1-2-7/h7H,1-2H2,(H3,4,5,6)

InChI Key

XLCDSNFXNIFAJK-UHFFFAOYSA-N

Formula

C3H8N2OS

SMILES

NC(=O)NCCS

Molecular Weight¹

120.18

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_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 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	[127.39; 261.35]	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			2.76920e+01
Coefficient B			4.26200e-01
Coefficient C			-2.35100e-04
Coefficient D			4.25600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.39	J/mol×K	273.00	Calculated Property
Cp,gas	150.93	J/mol×K	353.78	Calculated Property
Cp,gas	172.00	J/mol×K	434.56	Calculated Property
Cp,gas	190.72	J/mol×K	515.33	Calculated Property
Cp,gas	207.23	J/mol×K	596.11	Calculated Property
Cp,gas	221.66	J/mol×K	676.89	Calculated Property
Cp,gas	234.16	J/mol×K	757.67	Calculated Property
Cp,gas	244.85	J/mol×K	838.44	Calculated Property
Cp,gas	253.87	J/mol×K	919.22	Calculated Property
Cp,gas	261.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Urea, (2-mercaptoethyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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