Chemical Properties of Tetrahydro-1,3-oxazine-2-thione (CAS 17374-18-4)

InChI

InChI=1S/C4H7NOS/c7-4-5-2-1-3-6-4/h1-3H2,(H,5,7)

InChI Key

OCWDJXKSTXCEOU-UHFFFAOYSA-N

Formula

C4H7NOS

SMILES

SC1=NCCCO1

Molecular Weight¹

117.17

CAS

17374-18-4

Other Names

• Tetrahydro-2H-1,3-oxazine-2-thione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.87	kJ/mol	Joback Calculated Property
logPoct/wat	0.693		Crippen Calculated Property
McVol	84.260	ml/mol	McGowan Calculated Property
Inp	[1115.00; 1115.00]
Inp	1115.00		NIST
Inp	1115.00		NIST
Tfus	400.20	K	Knowledge of a Molecule: An Experimental and Theoretical Study of the Structure and Enthalpy of Formation of Tetrahydro-2H-1,3-oxazine-2-thione

Cheméo can also estimate Normal Boiling Point Temperature, 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	[168.26; 231.49]	J/mol×K	[462.99; 719.95]
Cp,gas	168.26	J/mol×K	462.99	Joback Calculated Property
Cp,gas	180.65	J/mol×K	505.82	Joback Calculated Property
Cp,gas	192.30	J/mol×K	548.64	Joback Calculated Property
Cp,gas	203.22	J/mol×K	591.47	Joback Calculated Property
Cp,gas	213.39	J/mol×K	634.30	Joback Calculated Property
Cp,gas	222.82	J/mol×K	677.13	Joback Calculated Property
Cp,gas	231.49	J/mol×K	719.95	Joback Calculated Property
ΔfusH	18.40	kJ/mol	400.20	NIST

Similar Compounds

Find more compounds similar to Tetrahydro-1,3-oxazine-2-thione.

Sources

• 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
• Knowledge of a Molecule: An Experimental and Theoretical Study of the Structure and Enthalpy of Formation of Tetrahydro-2H-1,3-oxazine-2-thione
• 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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