Chemical Properties of 5-isothiocyano-1-pentene

InChI

InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2

InChI Key

DBISBKDNOKIADM-UHFFFAOYSA-N

Formula

C6H9NS

SMILES

C=CCCCN=C=S

Molecular Weight¹

127.21

Other Names

• 4-pentenyl isothiocyanate

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	242.33	kJ/mol	Joback Calculated Property
ΔvapH°	38.72	kJ/mol	Joback Calculated Property
log10WS	-2.12		Crippen Calculated Property
logPoct/wat	2.055		Crippen Calculated Property
McVol	108.830	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
Inp	[1075.00; 1161.00]
Inp	1086.00		NIST
Inp	1075.00		NIST
Inp	1161.00		NIST
Inp	1075.00		NIST
Tboil	479.31	K	Joback Calculated Property
Tc	698.65	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-isothiocyano-1-pentene.

Sources

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

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