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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2121		Relay (... Calculated Property
ΔfG°	71.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-6.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	5.81	kJ/mol	Joback Calculated Property
ΔvapH°	35.74	kJ/mol	Relay (... Calculated Property
IE	8.18	eV	Relay (... Calculated Property
log10WS	-1.08		Relay (... 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	375.05	K	Relay (... Calculated Property
Tc	584.78	K	Relay (... Calculated Property
Tfus	163.24	K	Relay (... Calculated Property
Vc	0.252	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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