Chemical Properties of Thietane, 2-methyl- (CAS 17837-41-1)

InChI

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

InChI Key

DUTRXPYVMIFJQZ-UHFFFAOYSA-N

Formula

C4H8S

SMILES

CC1CCS1

Molecular Weight¹

88.17

CAS

17837-41-1

Other Names

• Butane, 1,3-epithio-
• «alpha»-Methylthietane
• 2-Methylthiacyclobutane
• 2-Methylthietane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	71.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-13.99	kJ/mol	Joback Calculated Property
ΔfusH°	5.81	kJ/mol	Joback Calculated Property
ΔvapH°	30.40	kJ/mol	Joback Calculated Property
log10WS	-1.39		Crippen Calculated Property
logPoct/wat	1.512		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	4736.62	kPa	Joback Calculated Property
Inp	[723.00; 723.00]
Inp	723.00		NIST
Inp	723.00		NIST
Tboil	349.76	K	Joback Calculated Property
Tc	556.77	K	Joback Calculated Property
Tfus	232.71	K	Joback Calculated Property
Vc	0.255	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.06; 166.13]	J/mol×K	[349.76; 556.77]
Cp,gas	112.06	J/mol×K	349.76	Joback Calculated Property
Cp,gas	122.49	J/mol×K	384.26	Joback Calculated Property
Cp,gas	132.32	J/mol×K	418.76	Joback Calculated Property
Cp,gas	141.57	J/mol×K	453.27	Joback Calculated Property
Cp,gas	150.27	J/mol×K	487.77	Joback Calculated Property
Cp,gas	158.45	J/mol×K	522.27	Joback Calculated Property
Cp,gas	166.13	J/mol×K	556.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thietane, 2-methyl-.

Sources

• 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.