Chemical Properties of 2-Methyl-3,4-dihydro-2H-thiopyran

InChI

InChI=1S/C6H8OS/c1-5-4-6(7)2-3-8-5/h2-3,5H,4H2,1H3

InChI Key

KGDMIAZBLYJSSW-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

CC1CC(=O)C=CS1

Molecular Weight¹

128.19

• 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).
• 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).
• 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

Property	Value	Unit	Source
ΔfG°	-28.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.51	kJ/mol	Joback Calculated Property
ΔfusH°	7.52	kJ/mol	Joback Calculated Property
ΔvapH°	39.73	kJ/mol	Joback Calculated Property
log10WS	-1.85		Crippen Calculated Property
logPoct/wat	1.595		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Pc	4305.56	kPa	Joback Calculated Property
Inp	[892.00; 892.00]
Inp	892.00		NIST
Inp	892.00		NIST
Tboil	471.04	K	Joback Calculated Property
Tc	716.73	K	Joback Calculated Property
Tfus	317.19	K	Joback Calculated Property
Vc	0.344	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.34; 260.31]	J/mol×K	[471.04; 716.73]
Cp,gas	191.34	J/mol×K	471.04	Joback Calculated Property
Cp,gas	204.49	J/mol×K	511.99	Joback Calculated Property
Cp,gas	216.99	J/mol×K	552.94	Joback Calculated Property
Cp,gas	228.83	J/mol×K	593.89	Joback Calculated Property
Cp,gas	240.01	J/mol×K	634.83	Joback Calculated Property
Cp,gas	250.51	J/mol×K	675.78	Joback Calculated Property
Cp,gas	260.31	J/mol×K	716.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3,4-dihydro-2H-thiopyran.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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