Chemical Properties of 2-Thiiranebutanenitrile (CAS 58130-94-2)

InChI

InChI=1S/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2

InChI Key

GWYOVZVXBRVBBE-UHFFFAOYSA-N

Formula

C6H9NS

SMILES

N#CCCCC1CS1

Molecular Weight¹

127.21

CAS

58130-94-2

• 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	0.4413		Relay (... Calculated Property
ΔfG°	233.43	kJ/mol	Joback Calculated Property
ΔfH°gas	96.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.59	kJ/mol	Joback Calculated Property
ΔvapH°	65.78	kJ/mol	Relay (... Calculated Property
IE	9.77	eV	Relay (... Calculated Property
log10WS	-1.19		Relay (... Calculated Property
logPoct/wat	1.796		Crippen Calculated Property
McVol	102.270	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	[1249.50; 1249.50]
Inp	1249.50		NIST
Inp	1249.50		NIST
Tboil	526.12	K	Relay (... Calculated Property
Tc	741.80	K	Relay (... Calculated Property
Tfus	241.17	K	Relay (... Calculated Property
Vc	0.372	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.68; 265.52]	J/mol×K	[493.33; 712.05]
Cp,gas	213.68	J/mol×K	493.33	Joback Calculated Property
Cp,gas	223.85	J/mol×K	529.78	Joback Calculated Property
Cp,gas	233.34	J/mol×K	566.24	Joback Calculated Property
Cp,gas	242.20	J/mol×K	602.69	Joback Calculated Property
Cp,gas	250.49	J/mol×K	639.14	Joback Calculated Property
Cp,gas	258.25	J/mol×K	675.60	Joback Calculated Property
Cp,gas	265.52	J/mol×K	712.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Thiiranebutanenitrile.

Sources

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

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