Chemical Properties of Thietane, 3-methyl- (CAS 22438-40-0)

InChI

InChI=1S/C4H8S/c1-4-2-5-3-4/h4H,2-3H2,1H3

InChI Key

AICMILUQCQAHLV-UHFFFAOYSA-N

Formula

C4H8S

SMILES

CC1CSC1

Molecular Weight¹

88.17

CAS

22438-40-0

Other Names

• 3-Methylthietane

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation, 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	[86.54; 233.54]	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			-3.42900e+01
Coefficient B			5.39530e-01
Coefficient C			-3.86300e-04
Coefficient D			1.14600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	86.54	J/mol×K	273.00	Calculated Property
Cp,gas	113.31	J/mol×K	353.78	Calculated Property
Cp,gas	136.62	J/mol×K	434.56	Calculated Property
Cp,gas	156.84	J/mol×K	515.33	Calculated Property
Cp,gas	174.33	J/mol×K	596.11	Calculated Property
Cp,gas	189.46	J/mol×K	676.89	Calculated Property
Cp,gas	202.58	J/mol×K	757.67	Calculated Property
Cp,gas	214.06	J/mol×K	838.44	Calculated Property
Cp,gas	224.26	J/mol×K	919.22	Calculated Property
Cp,gas	233.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thietane, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.