Chemical Properties of 4-(methylthio)butenenitrile

InChI

InChI=1S/C5H7NS/c1-7-5-3-2-4-6/h2-3H,5H2,1H3/b3-2+

InChI Key

CGSLHZQOUDWXEN-NSCUHMNNSA-N

Formula

C5H7NS

SMILES

CSCC=CC#N

Molecular Weight¹

113.18

• 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°	237.74	kJ/mol	Joback Calculated Property
ΔfH°gas	177.44	kJ/mol	Joback Calculated Property
ΔfusH°	14.54	kJ/mol	Joback Calculated Property
ΔvapH°	43.98	kJ/mol	Joback Calculated Property
log10WS	-1.52		Crippen Calculated Property
logPoct/wat	1.429		Crippen Calculated Property
McVol	94.740	ml/mol	McGowan Calculated Property
Pc	3655.35	kPa	Joback Calculated Property
Inp	[1091.00; 1091.00]
Inp	1091.00		NIST
Inp	1091.00		NIST
Tboil	488.82	K	Joback Calculated Property
Tc	712.96	K	Joback Calculated Property
Tfus	240.42	K	Joback Calculated Property
Vc	0.376	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.88; 215.74]	J/mol×K	[488.82; 712.96]
Cp,gas	174.88	J/mol×K	488.82	Joback Calculated Property
Cp,gas	182.77	J/mol×K	526.18	Joback Calculated Property
Cp,gas	190.20	J/mol×K	563.53	Joback Calculated Property
Cp,gas	197.19	J/mol×K	600.89	Joback Calculated Property
Cp,gas	203.77	J/mol×K	638.25	Joback Calculated Property
Cp,gas	209.94	J/mol×K	675.61	Joback Calculated Property
Cp,gas	215.74	J/mol×K	712.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(methylthio)butenenitrile.

Sources

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

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