Chemical Properties of 2H-Thiopyran, tetrahydro-4-methyl- (CAS 5161-17-1)

InChI

InChI=1S/C6H12S/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3

InChI Key

MCSVISNPQJAWJX-UHFFFAOYSA-N

Formula

C6H12S

SMILES

CC1CCSCC1

Molecular Weight¹

116.22

CAS

5161-17-1

Other Names

• 4-Methyltetrahydro-2H-thiopyrane
• 4-Methylthiacyclohexane
• 4-Methylthiane
• Thiopyran, tetrahydro-4-methyl-

• ω : Acentric Factor.
• 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).
• 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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.17; 260.03]	J/mol×K	[404.06; 626.29]
Cp,gas	180.17	J/mol×K	404.06	Joback Calculated Property
Cp,gas	195.45	J/mol×K	441.10	Joback Calculated Property
Cp,gas	209.91	J/mol×K	478.14	Joback Calculated Property
Cp,gas	223.57	J/mol×K	515.18	Joback Calculated Property
Cp,gas	236.46	J/mol×K	552.22	Joback Calculated Property
Cp,gas	248.61	J/mol×K	589.25	Joback Calculated Property
Cp,gas	260.03	J/mol×K	626.29	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[313.82; 473.35]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34049e+01
Coefficient B			-3.37112e+03
Coefficient C			-5.68200e+01
Temperature range, min.			313.82
Temperature range, max.			473.35
Pvap	1.33	kPa	313.82	Calculated Property
Pvap	3.11	kPa	331.55	Calculated Property
Pvap	6.54	kPa	349.27	Calculated Property
Pvap	12.64	kPa	367.00	Calculated Property
Pvap	22.74	kPa	384.72	Calculated Property
Pvap	38.52	kPa	402.45	Calculated Property
Pvap	62.00	kPa	420.17	Calculated Property
Pvap	95.45	kPa	437.90	Calculated Property
Pvap	141.43	kPa	455.62	Calculated Property
Pvap	202.66	kPa	473.35	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Thiopyran, tetrahydro-4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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