Chemical Properties of 2,2-Dimethylthiirane (CAS 3772-13-2)

InChI

InChI=1S/C4H8S/c1-4(2)3-5-4/h3H2,1-2H3

InChI Key

HGJOFJDIHKHKAU-UHFFFAOYSA-N

Formula

C4H8S

SMILES

CC1(C)CS1

Molecular Weight¹

88.17

CAS

3772-13-2

Other Names

• Thiirane, 2,2-dimethyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.2179		Relay (... Calculated Property
ΔcH°liquid	-3295.00 ± 1.00	kJ/mol	NIST
ΔfG°	77.92	kJ/mol	Joback Calculated Property
ΔfH°gas	4.04	kJ/mol	Relay (... Calculated Property
ΔfH°liquid	-24.00 ± 1.00	kJ/mol	NIST
ΔfusH°	1.61	kJ/mol	Joback Calculated Property
ΔvapH°	29.49	kJ/mol	Relay (... Calculated Property
IE	8.61	eV	Relay (... Calculated Property
log10WS	-1.67		Relay (... Calculated Property
logPoct/wat	1.512		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	4869.76	kPa	Joback Calculated Property
Inp	[692.00; 728.00]
Inp	728.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Tboil	350.04	K	Relay (... Calculated Property
Tc	556.02	K	Relay (... Calculated Property
Tfus	219.00	K	Relay (... Calculated Property
Vc	0.257	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.52; 165.64]	J/mol×K	[345.73; 553.36]
Cp,gas	114.52	J/mol×K	345.73	Joback Calculated Property
Cp,gas	125.43	J/mol×K	380.33	Joback Calculated Property
Cp,gas	135.24	J/mol×K	414.94	Joback Calculated Property
Cp,gas	144.05	J/mol×K	449.54	Joback Calculated Property
Cp,gas	151.98	J/mol×K	484.15	Joback Calculated Property
Cp,gas	159.14	J/mol×K	518.75	Joback Calculated Property
Cp,gas	165.64	J/mol×K	553.36	Joback Calculated Property
ΔvapH	37.00	kJ/mol	373.00	NIST

Similar Compounds

Find more compounds similar to 2,2-Dimethylthiirane.

Sources

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

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