Chemical Properties of Thiophene, 3-propyl- (CAS 1518-75-8)

InChI

InChI=1S/C7H10S/c1-2-3-7-4-5-8-6-7/h4-6H,2-3H2,1H3

InChI Key

QZNFRMXKQCIPQY-UHFFFAOYSA-N

Formula

C7H10S

SMILES

CCCc1ccsc1

Molecular Weight¹

126.22

CAS

1518-75-8

Other Names

• 3-Propylthiophene

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.45		Crippen Calculated Property
logPoct/wat	2.701		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property
Inp	[945.00; 946.00]
Inp	946.00		NIST
Inp	945.00		NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[320.37; 460.32]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44880e+01
Coefficient B			-3.63006e+03
Coefficient C			-6.47400e+01
Temperature range, min.			320.37
Temperature range, max.			460.32
Pvap	1.33	kPa	320.37	Calculated Property
Pvap	3.01	kPa	335.92	Calculated Property
Pvap	6.22	kPa	351.47	Calculated Property
Pvap	11.93	kPa	367.02	Calculated Property
Pvap	21.47	kPa	382.57	Calculated Property
Pvap	36.57	kPa	398.12	Calculated Property
Pvap	59.42	kPa	413.67	Calculated Property
Pvap	92.61	kPa	429.22	Calculated Property
Pvap	139.21	kPa	444.77	Calculated Property
Pvap	202.64	kPa	460.32	Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 3-propyl-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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