Chemical Properties of 3,3-Dimethylthietane (CAS 13188-85-7)

InChI

InChI=1S/C5H10S/c1-5(2)3-6-4-5/h3-4H2,1-2H3

InChI Key

RPRIYERFOHERFT-UHFFFAOYSA-N

Formula

C5H10S

SMILES

CC1(C)CSC1

Molecular Weight¹

102.20

CAS

13188-85-7

• 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	0.2255		Relay (... Calculated Property
ΔfG°	74.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.73	kJ/mol	Relay (... Calculated Property
ΔfusH°	2.10	kJ/mol	Joback Calculated Property
ΔvapH°	35.18	kJ/mol	Relay (... Calculated Property
IE	8.18	eV	Relay (... Calculated Property
log10WS	-2.45		Relay (... Calculated Property
logPoct/wat	1.759		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	4420.84	kPa	Joback Calculated Property
Inp	[739.00; 739.00]
Inp	739.00		NIST
Inp	739.00		NIST
Tboil	373.32	K	Relay (... Calculated Property
Tc	593.36	K	Relay (... Calculated Property
Tfus	211.63	K	Relay (... Calculated Property
Vc	0.302	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.95; 209.49]	J/mol×K	[372.88; 588.65]
Cp,gas	146.95	J/mol×K	372.88	Joback Calculated Property
Cp,gas	159.90	J/mol×K	408.84	Joback Calculated Property
Cp,gas	171.69	J/mol×K	444.80	Joback Calculated Property
Cp,gas	182.42	J/mol×K	480.76	Joback Calculated Property
Cp,gas	192.22	J/mol×K	516.73	Joback Calculated Property
Cp,gas	201.21	J/mol×K	552.69	Joback Calculated Property
Cp,gas	209.49	J/mol×K	588.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Dimethylthietane.

Sources

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

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