Chemical Properties of 3-Thia-5-hexene-1-thiol

InChI

InChI=1S/C5H10S2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2

InChI Key

IIUMUJLWECLSGI-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

C=CCSCCS

Molecular Weight¹

134.26

• 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).
• 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
ω	0.3153		Relay (1.0) Calculated Property
ΔfG°	141.57	kJ/mol	Joback Calculated Property
ΔfH°gas	24.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.60	kJ/mol	Joback Calculated Property
ΔvapH°	53.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	1.835		Crippen Calculated Property
McVol	109.710	ml/mol	McGowan Calculated Property
Pc	4031.24	kPa	Joback Calculated Property
Inp	[1090.00; 1090.00]
Inp	1090.00		NIST
Inp	1090.00		NIST
Tboil	456.72	K	Relay (1.0) Calculated Property
Tc	683.89	K	Relay (1.0) Calculated Property
Tfus	190.85	K	Relay (1.0) Calculated Property
Vc	0.361	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.54; 249.70]	J/mol×K	[442.12; 662.50]
Cp,gas	196.54	J/mol×K	442.12	Joback Calculated Property
Cp,gas	206.64	J/mol×K	478.85	Joback Calculated Property
Cp,gas	216.23	J/mol×K	515.58	Joback Calculated Property
Cp,gas	225.32	J/mol×K	552.31	Joback Calculated Property
Cp,gas	233.92	J/mol×K	589.04	Joback Calculated Property
Cp,gas	242.04	J/mol×K	625.77	Joback Calculated Property
Cp,gas	249.70	J/mol×K	662.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Thia-5-hexene-1-thiol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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