Chemical Properties of Propanenitrile, 3,3'-thiobis-

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

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_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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	168.09	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	96.30 ± 5.00	kJ/mol	NIST
ΔfusH°	18.44	kJ/mol	Joback Calculated Property
ΔvapH°	75.38	kJ/mol	Relay (1.0) Calculated Property
IE	10.45	eV	Relay (1.0) Calculated Property
logPoct/wat	1.547		Crippen Calculated Property
McVol	114.510	ml/mol	McGowan Calculated Property
Tboil	600.83	K	Relay (1.0) 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
Tfus	301.75 ± 0.30	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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