Chemical Properties of Propanenitrile, 3,3'-thiobis- (CAS 111-97-7)

InChI

InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2

InChI Key

NDVLTZFQVDXFAN-UHFFFAOYSA-N

Formula

C6H8N2S

SMILES

N#CCCSCCC#N

Molecular Weight¹

140.21

CAS

111-97-7

Other Names

• Propionitrile, 3,3'-thiodi-
• «beta»,«beta»'-Dicyanodiethyl sulfide
• «beta»,«beta»'-Thiodipropionitrile
• Bis(2-cyanoethyl) sulfide
• Di(2-cyanoethyl) sulfide
• Dicyanoethyl sulfide
• Sulfide, bis(2-cyanoethyl)
• Thiodipropionitrile
• 2-Cyanoethyl sulfide
• 3,3'-Thiodipropionitrile
• Thiobis(2-cyanoethane)
• 2-Cyanoethyl thioether
• Nitril kyseliny «beta»,«beta»'-thiodipropionove
• USAF HA-5
• 2,2'-Thiodiethylkyanid
• Bis-(2-cyanoethyl) sulphide
• beta,beta'-Thiodipropionitrile
• NSC 2040
• 3,3'-thiodipropiononitrile

• 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_fH°_liquid : Liquid phase 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).
• 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°	299.12	kJ/mol	Joback Calculated Property
ΔfH°gas	204.46	kJ/mol	Joback Calculated Property
ΔfH°liquid	96.30 ± 5.00	kJ/mol	NIST
ΔfusH°	18.44	kJ/mol	Joback Calculated Property
ΔvapH°	56.72	kJ/mol	Joback Calculated Property
log10WS	-1.95		Crippen Calculated Property
logPoct/wat	1.547		Crippen Calculated Property
McVol	114.510	ml/mol	McGowan Calculated Property
Pc	2995.87	kPa	Joback Calculated Property
Tboil	609.62	K	Joback Calculated Property
Tc	835.89	K	Joback Calculated Property
Tfus	[295.25; 301.80]	K
Tfus	301.75 ± 0.30	K	NIST
Tfus	301.70 ± 0.20	K	NIST
Tfus	301.80 ± 0.15	K	NIST
Tfus	295.25 ± 0.30	K	NIST
Vc	0.477	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.97; 288.64]	J/mol×K	[609.62; 835.89]
Cp,gas	247.97	J/mol×K	609.62	Joback Calculated Property
Cp,gas	255.88	J/mol×K	647.33	Joback Calculated Property
Cp,gas	263.32	J/mol×K	685.04	Joback Calculated Property
Cp,gas	270.32	J/mol×K	722.75	Joback Calculated Property
Cp,gas	276.86	J/mol×K	760.47	Joback Calculated Property
Cp,gas	282.97	J/mol×K	798.18	Joback Calculated Property
Cp,gas	288.64	J/mol×K	835.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanenitrile, 3,3'-thiobis-.

Sources

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

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