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-

• 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).
• 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
ΔcH°liquid	-3295.00 ± 1.00	kJ/mol	NIST
ΔfG°	77.92	kJ/mol	Joback Calculated Property
ΔfH°gas	7.41	kJ/mol	Joback Calculated Property
ΔfH°liquid	-24.00 ± 1.00	kJ/mol	NIST
ΔfusH°	1.61	kJ/mol	Joback Calculated Property
ΔvapH°	29.07	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	4869.76	kPa	Joback Calculated Property
Inp	[692.00; 728.00]
Inp	728.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Tboil	345.73	K	Joback Calculated Property
Tc	553.36	K	Joback Calculated Property
Tfus	260.13	K	Joback Calculated Property
Vc	0.261	m3/kmol	Joback 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

• 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.