Chemical Properties of 1-Cyano-2,3-epithiopropane (CAS 58130-93-1)

InChI

InChI=1S/C4H5NS/c5-2-1-4-3-6-4/h4H,1,3H2

InChI Key

BKIZJNMVTRYGSW-UHFFFAOYSA-N

Formula

C4H5NS

SMILES

N#CCC1CS1

Molecular Weight¹

99.15

CAS

58130-93-1

Other Names

• Thiirane-2-acetonitrile

• 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°	216.59	kJ/mol	Joback Calculated Property
ΔfH°gas	157.05	kJ/mol	Joback Calculated Property
ΔfusH°	9.41	kJ/mol	Joback Calculated Property
ΔvapH°	40.70	kJ/mol	Joback Calculated Property
log10WS	-1.25		Crippen Calculated Property
logPoct/wat	1.015		Crippen Calculated Property
McVol	74.090	ml/mol	McGowan Calculated Property
Pc	4426.72	kPa	Joback Calculated Property
Inp	[874.00; 874.00]
Inp	874.00		NIST
Inp	874.00		NIST
Tboil	447.57	K	Joback Calculated Property
Tc	673.26	K	Joback Calculated Property
Tfus	301.22	K	Joback Calculated Property
Vc	0.288	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.34; 173.72]	J/mol×K	[447.57; 673.26]
Cp,gas	136.34	J/mol×K	447.57	Joback Calculated Property
Cp,gas	143.84	J/mol×K	485.18	Joback Calculated Property
Cp,gas	150.77	J/mol×K	522.80	Joback Calculated Property
Cp,gas	157.19	J/mol×K	560.41	Joback Calculated Property
Cp,gas	163.12	J/mol×K	598.03	Joback Calculated Property
Cp,gas	168.61	J/mol×K	635.64	Joback Calculated Property
Cp,gas	173.72	J/mol×K	673.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyano-2,3-epithiopropane.

Sources

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

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