Chemical Properties of 7-methyl-4-thia-1-octyne

InChI

InChI=1S/C8H14S/c1-4-6-9-7-5-8(2)3/h1,8H,5-7H2,2-3H3

InChI Key

COFITCLBCKPYPX-UHFFFAOYSA-N

Formula

C8H14S

SMILES

C#CCSCCC(C)C

Molecular Weight¹

142.26

Other Names

• Isopentyll 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°	270.23	kJ/mol	Joback Calculated Property
ΔfH°gas	120.04	kJ/mol	Joback Calculated Property
ΔfusH°	20.06	kJ/mol	Joback Calculated Property
ΔvapH°	39.69	kJ/mol	Joback Calculated Property
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.399		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3042.32	kPa	Joback Calculated Property
Inp	[1035.00; 1035.00]
Inp	1035.00		NIST
Inp	1035.00		NIST
Inp	1035.00		NIST
Tboil	440.90	K	Joback Calculated Property
Tc	644.71	K	Joback Calculated Property
Tfus	246.29	K	Joback Calculated Property
Vc	0.493	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.20; 325.40]	J/mol×K	[440.90; 644.71]
Cp,gas	257.20	J/mol×K	440.90	Joback Calculated Property
Cp,gas	270.03	J/mol×K	474.87	Joback Calculated Property
Cp,gas	282.25	J/mol×K	508.84	Joback Calculated Property
Cp,gas	293.89	J/mol×K	542.81	Joback Calculated Property
Cp,gas	304.94	J/mol×K	576.77	Joback Calculated Property
Cp,gas	315.44	J/mol×K	610.74	Joback Calculated Property
Cp,gas	325.40	J/mol×K	644.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-methyl-4-thia-1-octyne.

Sources

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

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