Chemical Properties of 2-Butyl-2H-thiapyrane

InChI

InChI=1S/C9H14S/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-9H,2-3,6H2,1H3

InChI Key

GLNHYDJALZRGEG-UHFFFAOYSA-N

Formula

C9H14S

SMILES

CCCCC1C=CC=CS1

Molecular Weight¹

154.27

Other Names

• 2-butyl-(2H)-thiapyran

• 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.
• I : 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°	149.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-13.95	kJ/mol	Joback Calculated Property
ΔfusH°	17.00	kJ/mol	Joback Calculated Property
ΔvapH°	42.45	kJ/mol	Joback Calculated Property
log10WS	-3.68		Crippen Calculated Property
logPoct/wat	3.362		Crippen Calculated Property
McVol	134.560	ml/mol	McGowan Calculated Property
Pc	3049.04	kPa	Joback Calculated Property
Inp	[1221.00; 1231.00]
Inp	1231.00		NIST
Inp	1221.00		NIST
Inp	1221.00		NIST
Inp	1223.00		NIST
Inp	1231.00		NIST
I	[1597.00; 1597.00]
I	1597.00		NIST
I	1597.00		NIST
Tboil	471.02	K	Joback Calculated Property
Tc	688.90	K	Joback Calculated Property
Tfus	283.54	K	Joback Calculated Property
Vc	0.490	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.55; 358.82]	J/mol×K	[471.02; 688.90]
Cp,gas	275.55	J/mol×K	471.02	Joback Calculated Property
Cp,gas	291.64	J/mol×K	507.33	Joback Calculated Property
Cp,gas	306.80	J/mol×K	543.65	Joback Calculated Property
Cp,gas	321.06	J/mol×K	579.96	Joback Calculated Property
Cp,gas	334.46	J/mol×K	616.27	Joback Calculated Property
Cp,gas	347.04	J/mol×K	652.59	Joback Calculated Property
Cp,gas	358.82	J/mol×K	688.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butyl-2H-thiapyrane.

Sources

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

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