Chemical Properties of trans-Raphasatin (CAS 13028-50-7)

InChI

InChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3+

InChI Key

RYSPJKHYSHFYEB-HWKANZROSA-N

Formula

C6H9NS2

SMILES

CSC=CCCN=C=S

Molecular Weight¹

159.27

CAS

13028-50-7

• 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	275.99	kJ/mol	Joback Calculated Property
ΔvapH°	46.17	kJ/mol	Joback Calculated Property
log10WS	-2.50		Crippen Calculated Property
logPoct/wat	2.356		Crippen Calculated Property
McVol	125.180	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Inp	[1441.60; 1441.60]
Inp	1441.60		NIST
Inp	1441.60		NIST
Tboil	555.57	K	Joback Calculated Property
Tc	802.54	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Raphasatin.

Sources

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

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