Chemical Properties of Pyridine, 3-butyl- (CAS 539-32-2)

InChI

InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3

InChI Key

QSNMFWFDOFQASV-UHFFFAOYSA-N

Formula

C9H13N

SMILES

CCCCc1cccnc1

Molecular Weight¹

135.21

CAS

539-32-2

Other Names

• 1-(3-Pyridyl)butane
• 3-Butylpyridine
• 3-n-Butylpyridine

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.424		Crippen Calculated Property
McVol	123.890	ml/mol	McGowan Calculated Property
Inp	[1101.00; 1142.00]
Inp	1142.00		NIST
Inp	1105.00		NIST
Inp	1108.00		NIST
Inp	1138.00		NIST
Inp	1101.00		NIST
Inp	1101.00		NIST
I	[1566.00; 1602.00]
I	1566.00		NIST
I	1602.00		NIST
I	1566.00		NIST
I	1568.00		NIST
Tboil	479.70	K	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[353.70; 355.00]	K	[0.90; 1.00]
Tboilr	355.00	K	0.90	NIST
Tboilr	353.70	K	1.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[358.80; 509.29]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48014e+01
Coefficient B			-4.12599e+03
Coefficient C			-7.45200e+01
Temperature range, min.			358.80
Temperature range, max.			509.29
Pvap	1.33	kPa	358.80	Calculated Property
Pvap	2.99	kPa	375.52	Calculated Property
Pvap	6.14	kPa	392.24	Calculated Property
Pvap	11.76	kPa	408.96	Calculated Property
Pvap	21.16	kPa	425.68	Calculated Property
Pvap	36.09	kPa	442.41	Calculated Property
Pvap	58.77	kPa	459.13	Calculated Property
Pvap	91.89	kPa	475.85	Calculated Property
Pvap	138.63	kPa	492.57	Calculated Property
Pvap	202.63	kPa	509.29	Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 3-butyl-.

Sources

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

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