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_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 a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3295.00 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-24.00 ± 1.00	kJ/mol	NIST
ΔfusH°	1.61	kJ/mol	Joback Calculated Property
logPoct/wat	1.512		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Inp	[692.00; 728.00]
Inp	728.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.