Chemical Properties of 4-thia-1-nonyne

InChI

InChI=1S/C8H14S/c1-3-5-6-8-9-7-4-2/h2H,3,5-8H2,1H3

InChI Key

OAENEVQWITZHNM-UHFFFAOYSA-N

Formula

C8H14S

SMILES

C#CCSCCCCC

Molecular Weight¹

142.26

Other Names

• Pentyl propargyl sulfide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.3230		Relay (1.0) Calculated Property
ΔfH°gas	118.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.58	kJ/mol	Joback Calculated Property
ΔvapH°	53.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.543		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3015.64	kPa	Joback Calculated Property
Inp	[1073.00; 1073.00]
Inp	1073.00		NIST
Inp	1073.00		NIST
Tboil	458.53	K	Relay (1.0) Calculated Property
Tc	651.23	K	Relay (1.0) Calculated Property
Tfus	211.74	K	Relay (1.0) Calculated Property
Vc	0.465	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.10; 323.50]	J/mol×K	[441.34; 640.42]
Cp,gas	257.10	J/mol×K	441.34	Joback Calculated Property
Cp,gas	269.55	J/mol×K	474.52	Joback Calculated Property
Cp,gas	281.42	J/mol×K	507.70	Joback Calculated Property
Cp,gas	292.74	J/mol×K	540.88	Joback Calculated Property
Cp,gas	303.51	J/mol×K	574.06	Joback Calculated Property
Cp,gas	313.76	J/mol×K	607.24	Joback Calculated Property
Cp,gas	323.50	J/mol×K	640.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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