Chemical Properties of 3-Butylthiophene (CAS 34722-01-5)

InChI

InChI=1S/C8H12S/c1-2-3-4-8-5-6-9-7-8/h5-7H,2-4H2,1H3

InChI Key

KPOCSQCZXMATFR-UHFFFAOYSA-N

Formula

C8H12S

SMILES

CCCCc1ccsc1

Molecular Weight¹

140.25

CAS

34722-01-5

Other Names

• Thiophene, 3-butyl

• 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	-2.87		Crippen Calculated Property
logPoct/wat	3.091		Crippen Calculated Property
McVol	120.470	ml/mol	McGowan Calculated Property
Inp	[1054.00; 1054.00]
Inp	1054.00		NIST
Inp	1054.00		NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[343.12; 481.86]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52856e+01
Coefficient B			-4.13102e+03
Coefficient C			-6.76820e+01
Temperature range, min.			343.12
Temperature range, max.			481.86
Pvap	1.33	kPa	343.12	Calculated Property
Pvap	2.95	kPa	358.54	Calculated Property
Pvap	6.03	kPa	373.95	Calculated Property
Pvap	11.52	kPa	389.37	Calculated Property
Pvap	20.72	kPa	404.78	Calculated Property
Pvap	35.41	kPa	420.20	Calculated Property
Pvap	57.85	kPa	435.61	Calculated Property
Pvap	90.87	kPa	451.03	Calculated Property
Pvap	137.83	kPa	466.44	Calculated Property
Pvap	202.67	kPa	481.86	Calculated Property

Similar Compounds

Find more compounds similar to 3-Butylthiophene.

Sources

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

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