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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	-34.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	2.10	kJ/mol	Joback Calculated Property
ΔvapH°	37.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
logPoct/wat	1.759		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Inp	[739.00; 739.00]
Inp	739.00		NIST
Inp	739.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[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)
• 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.