Chemical Properties of 3-Thia-1-hexanethiol

InChI

InChI=1S/C5H12S2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3

InChI Key

ZTLMBCCGUMJDFH-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CCCSCCS

Molecular Weight¹

136.28

• 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°	53.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-66.18	kJ/mol	Joback Calculated Property
ΔfusH°	16.88	kJ/mol	Joback Calculated Property
ΔvapH°	40.28	kJ/mol	Joback Calculated Property
log10WS	-1.87		Crippen Calculated Property
logPoct/wat	2.059		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3824.55	kPa	Joback Calculated Property
Inp	[1111.00; 1111.00]
Inp	1111.00		NIST
Inp	1111.00		NIST
Tboil	445.44	K	Joback Calculated Property
Tc	660.82	K	Joback Calculated Property
Tfus	216.97	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.39; 270.56]	J/mol×K	[445.44; 660.82]
Cp,gas	212.39	J/mol×K	445.44	Joback Calculated Property
Cp,gas	223.30	J/mol×K	481.34	Joback Calculated Property
Cp,gas	233.71	J/mol×K	517.23	Joback Calculated Property
Cp,gas	243.64	J/mol×K	553.13	Joback Calculated Property
Cp,gas	253.08	J/mol×K	589.03	Joback Calculated Property
Cp,gas	262.05	J/mol×K	624.92	Joback Calculated Property
Cp,gas	270.56	J/mol×K	660.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Thia-1-hexanethiol.

Sources

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

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