Chemical Properties of 5,5-dimethyl-4-thia-1-hexyne

InChI

InChI=1S/C7H12S/c1-5-6-8-7(2,3)4/h1H,6H2,2-4H3

InChI Key

SHONSRZOTAXGMU-UHFFFAOYSA-N

Formula

C7H12S

SMILES

C#CCSC(C)(C)C

Molecular Weight¹

128.24

Other Names

• tert.-Butyl 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°	267.09	kJ/mol	Joback Calculated Property
ΔfH°gas	137.21	kJ/mol	Joback Calculated Property
ΔfusH°	13.58	kJ/mol	Joback Calculated Property
ΔvapH°	36.56	kJ/mol	Joback Calculated Property
log10WS	-2.54		Crippen Calculated Property
logPoct/wat	2.151		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
Inp	[892.00; 892.00]
Inp	892.00		NIST
Inp	892.00		NIST
Tboil	415.23	K	Joback Calculated Property
Tc	630.66	K	Joback Calculated Property
Tfus	252.44	K	Joback Calculated Property
Vc	0.432	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.19; 284.93]	J/mol×K	[415.23; 630.66]
Cp,gas	220.19	J/mol×K	415.23	Joback Calculated Property
Cp,gas	232.80	J/mol×K	451.14	Joback Calculated Property
Cp,gas	244.64	J/mol×K	487.04	Joback Calculated Property
Cp,gas	255.73	J/mol×K	522.95	Joback Calculated Property
Cp,gas	266.12	J/mol×K	558.85	Joback Calculated Property
Cp,gas	275.84	J/mol×K	594.76	Joback Calculated Property
Cp,gas	284.93	J/mol×K	630.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,5-dimethyl-4-thia-1-hexyne.

Sources

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

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