Chemical Properties of 4-thia-1-heptyne

InChI

InChI=1S/C6H10S/c1-3-5-7-6-4-2/h1H,4-6H2,2H3

InChI Key

SQQQEZUUYNQZBQ-UHFFFAOYSA-N

Formula

C6H10S

SMILES

C#CCSCCC

Molecular Weight¹

114.21

Other Names

• Propyl 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°	255.83	kJ/mol	Joback Calculated Property
ΔfH°gas	166.60	kJ/mol	Joback Calculated Property
ΔfusH°	18.40	kJ/mol	Joback Calculated Property
ΔvapH°	35.62	kJ/mol	Joback Calculated Property
log10WS	-2.01		Crippen Calculated Property
logPoct/wat	1.763		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Pc	3768.41	kPa	Joback Calculated Property
Inp	[877.00; 877.00]
Inp	877.00		NIST
Inp	877.00		NIST
Inp	877.00		NIST
Tboil	395.58	K	Joback Calculated Property
Tc	598.73	K	Joback Calculated Property
Tfus	238.75	K	Joback Calculated Property
Vc	0.388	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.17; 233.13]	J/mol×K	[395.58; 598.73]
Cp,gas	181.17	J/mol×K	395.58	Joback Calculated Property
Cp,gas	190.90	J/mol×K	429.44	Joback Calculated Property
Cp,gas	200.18	J/mol×K	463.30	Joback Calculated Property
Cp,gas	209.03	J/mol×K	497.15	Joback Calculated Property
Cp,gas	217.47	J/mol×K	531.01	Joback Calculated Property
Cp,gas	225.50	J/mol×K	564.87	Joback Calculated Property
Cp,gas	233.13	J/mol×K	598.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-thia-1-heptyne.

Sources

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

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