Chemical Properties of Isobutyl vinyl sulfide

InChI

InChI=1S/C6H12S/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3

InChI Key

CANYKRZRPKHWHK-UHFFFAOYSA-N

Formula

C6H12S

SMILES

C=CSCC(C)C

Molecular Weight¹

116.22

• 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	0.2453		Relay (1.0) Calculated Property
ΔfG°	118.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-41.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.62	kJ/mol	Joback Calculated Property
ΔvapH°	39.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-2.94		Relay (1.0) Calculated Property
logPoct/wat	2.519		Crippen Calculated Property
McVol	107.450	ml/mol	McGowan Calculated Property
Pc	3352.86	kPa	Joback Calculated Property
Inp	[847.00; 847.00]
Inp	847.00		NIST
Inp	847.00		NIST
Inp	847.00		NIST
Tboil	398.25	K	Relay (1.0) Calculated Property
Tc	567.71	K	Relay (1.0) Calculated Property
Tfus	153.32	K	Relay (1.0) Calculated Property
Vc	0.373	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.61; 251.51]	J/mol×K	[401.70; 599.38]
Cp,gas	191.61	J/mol×K	401.70	Joback Calculated Property
Cp,gas	202.77	J/mol×K	434.65	Joback Calculated Property
Cp,gas	213.45	J/mol×K	467.59	Joback Calculated Property
Cp,gas	223.65	J/mol×K	500.54	Joback Calculated Property
Cp,gas	233.39	J/mol×K	533.49	Joback Calculated Property
Cp,gas	242.67	J/mol×K	566.43	Joback Calculated Property
Cp,gas	251.51	J/mol×K	599.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl vinyl sulfide.

Sources

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

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