Chemical Properties of 1,4-Oxathiane (CAS 15980-15-1)

InChI

InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2

InChI Key

JBYHSSAVUBIJMK-UHFFFAOYSA-N

Formula

C4H8OS

SMILES

C1CSCCO1

Molecular Weight¹

104.17

CAS

15980-15-1

Other Names

• 1,4-Oxathiin, 2,3,5,6-tetrahydro-
• 1,4-Thioxane
• 1-Oxa-4-thiacyclohexane
• 1-Thia-4-oxacyclohexane
• NSC 49179
• Oxathiane
• p-Thioxane

• 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_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).
• IE : Ionization energy (eV).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔfG°	-31.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-137.97	kJ/mol	Joback Calculated Property
ΔfusH°	8.52	kJ/mol	Joback Calculated Property
ΔvapH°	35.56	kJ/mol	Joback Calculated Property
IE	[8.67; 8.80]	eV
IE	8.80 ± 0.05	eV	NIST
IE	8.67	eV	NIST
log10WS	-0.36		Crippen Calculated Property
logPoct/wat	0.750		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	5258.62	kPa	Joback Calculated Property
Inp	[851.00; 897.00]
Inp	897.00		NIST
Inp	851.00		NIST
Inp	877.00		NIST
Inp	857.00		NIST
Inp	884.50		NIST
Inp	851.00		NIST
Inp	880.00		NIST
Inp	851.00		NIST
Tboil	389.92	K	Joback Calculated Property
Tc	617.73	K	Joback Calculated Property
Tfus	251.50 ± 0.60	K	NIST
Vc	0.261	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.36; 192.46]	J/mol×K	[389.92; 617.73]
Cp,gas	132.36	J/mol×K	389.92	Joback Calculated Property
Cp,gas	144.03	J/mol×K	427.89	Joback Calculated Property
Cp,gas	155.00	J/mol×K	465.86	Joback Calculated Property
Cp,gas	165.30	J/mol×K	503.82	Joback Calculated Property
Cp,gas	174.96	J/mol×K	541.79	Joback Calculated Property
Cp,gas	184.01	J/mol×K	579.76	Joback Calculated Property
Cp,gas	192.46	J/mol×K	617.73	Joback Calculated Property
ΔvapH	[42.10; 44.80]	kJ/mol	[376.50; 376.50]
ΔvapH	42.10	kJ/mol	376.50	NIST
ΔvapH	44.80	kJ/mol	376.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[313.37; 449.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.25550e+01
Coefficient B			-2.40177e+03
Coefficient C			-1.17583e+02
Temperature range, min.			313.37
Temperature range, max.			449.16
Pvap	1.33	kPa	313.37	Calculated Property
Pvap	3.21	kPa	328.46	Calculated Property
Pvap	6.86	kPa	343.55	Calculated Property
Pvap	13.35	kPa	358.63	Calculated Property
Pvap	24.00	kPa	373.72	Calculated Property
Pvap	40.44	kPa	388.81	Calculated Property
Pvap	64.48	kPa	403.90	Calculated Property
Pvap	98.13	kPa	418.98	Calculated Property
Pvap	143.48	kPa	434.07	Calculated Property
Pvap	202.66	kPa	449.16	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Oxathiane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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