Chemical Properties of S-Propylmethanethiosulfonate

InChI

InChI=1S/C4H10O2S2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3

InChI Key

NTHJPLSCKRFMSP-UHFFFAOYSA-N

Formula

C4H10O2S2

SMILES

CCCSS(C)(=O)=O

Molecular Weight¹

154.25

Other Names

• propyl methanethiosulfonate

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.62	kJ/mol	Joback Calculated Property
logPoct/wat	1.089		Crippen Calculated Property
McVol	111.660	ml/mol	McGowan Calculated Property
Inp	[1156.00; 1175.00]
Inp	1175.00		NIST
Inp	1175.00		NIST
Inp	1156.00		NIST
Inp	1156.00		NIST

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, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.67; 254.72]	J/mol×K	[407.68; 595.82]
Cp,gas	201.67	J/mol×K	407.68	Joback Calculated Property
Cp,gas	211.33	J/mol×K	439.04	Joback Calculated Property
Cp,gas	220.68	J/mol×K	470.39	Joback Calculated Property
Cp,gas	229.70	J/mol×K	501.75	Joback Calculated Property
Cp,gas	238.38	J/mol×K	533.10	Joback Calculated Property
Cp,gas	246.73	J/mol×K	564.46	Joback Calculated Property
Cp,gas	254.72	J/mol×K	595.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to S-Propylmethanethiosulfonate.

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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