Chemical Properties of 2-thia-4-pentyne

InChI

InChI=1S/C4H6S/c1-3-4-5-2/h1H,4H2,2H3

InChI Key

YTXIGMLQHXRSEC-UHFFFAOYSA-N

Formula

C4H6S

SMILES

C#CCSC

Molecular Weight¹

86.16

Other Names

• Methyl propargyl sulfide

• 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°	238.99	kJ/mol	Joback Calculated Property
ΔfH°gas	207.88	kJ/mol	Joback Calculated Property
ΔfusH°	13.22	kJ/mol	Joback Calculated Property
ΔvapH°	31.17	kJ/mol	Joback Calculated Property
log10WS	-1.18		Crippen Calculated Property
logPoct/wat	0.983		Crippen Calculated Property
McVol	74.970	ml/mol	McGowan Calculated Property
Pc	4842.69	kPa	Joback Calculated Property
Inp	[705.00; 705.00]
Inp	705.00		NIST
Inp	705.00		NIST
Inp	705.00		NIST
Tboil	349.82	K	Joback Calculated Property
Tc	555.80	K	Joback Calculated Property
Tfus	216.21	K	Joback Calculated Property
Vc	0.276	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.95; 149.13]	J/mol×K	[349.82; 555.80]
Cp,gas	114.95	J/mol×K	349.82	Joback Calculated Property
Cp,gas	121.32	J/mol×K	384.15	Joback Calculated Property
Cp,gas	127.41	J/mol×K	418.48	Joback Calculated Property
Cp,gas	133.23	J/mol×K	452.81	Joback Calculated Property
Cp,gas	138.79	J/mol×K	487.14	Joback Calculated Property
Cp,gas	144.08	J/mol×K	521.47	Joback Calculated Property
Cp,gas	149.13	J/mol×K	555.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-thia-4-pentyne.

Sources

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

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