Chemical Properties of (Chloromethyl)thiirane (CAS 3221-15-6)

InChI

InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2

InChI Key

XRWMHJJHPQTTLQ-UHFFFAOYSA-N

Formula

C3H5ClS

SMILES

ClCC1CS1

Molecular Weight¹

108.59

CAS

3221-15-6

Other Names

• Chloropropylene sulfide
• Epithiochlorohydrin
• Propane, 1-chloro-2,3-epithio-
• Thiirane, (chloromethyl)-
• Thiirane, 2-(chloromethyl)-
• Thioepichlorhydrin
• Thioepichlorohydrin
• 1-Chloro-2,3-epithiopropane
• 2-(Chloromethyl)ethylene sulfide
• 2-(Chloromethyl)thiirane
• 2-Thiiranylmethyl chloride
• 3-Chloropropylene sulfide
• Chloropropylene sulphide
• 3-Chloropropene sulfide
• 3-Chloro-1,2-propylene sulfide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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
ΔfusH°	9.51	kJ/mol	Joback Calculated Property
logPoct/wat	1.341		Crippen Calculated Property
McVol	70.860	ml/mol	McGowan Calculated Property
Inp	[835.00; 835.00]
Inp	835.00		NIST
Inp	835.00		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	[105.50; 143.89]	J/mol×K	[360.04; 568.99]
Cp,gas	105.50	J/mol×K	360.04	Joback Calculated Property
Cp,gas	113.18	J/mol×K	394.87	Joback Calculated Property
Cp,gas	120.30	J/mol×K	429.69	Joback Calculated Property
Cp,gas	126.89	J/mol×K	464.52	Joback Calculated Property
Cp,gas	133.00	J/mol×K	499.34	Joback Calculated Property
Cp,gas	138.65	J/mol×K	534.17	Joback Calculated Property
Cp,gas	143.89	J/mol×K	568.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Chloromethyl)thiirane.

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.
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