Chemical Properties of 3-n-Hexadecylthiophene (CAS ---)

InChI

InChI=1S/C20H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-19H,2-16H2,1H3

InChI Key

FRVZSODZVJPMKO-UHFFFAOYSA-N

Formula

C20H36S

SMILES

CCCCCCCCCCCCCCCCc1ccsc1

Molecular Weight¹

308.56

CAS

---

Other Names

• 3-Hexadecylthiophene

• 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	-7.89		Crippen Calculated Property
logPoct/wat	7.772		Crippen Calculated Property
McVol	289.550	ml/mol	McGowan Calculated Property
Inp	[2303.00; 2349.00]
Inp	2303.00		NIST
Inp	2303.00		NIST
Inp	2349.00		NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[486.16; 686.92]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45052e+01
Coefficient B			-5.22328e+03
Coefficient C			-1.18778e+02
Temperature range, min.			486.16
Temperature range, max.			686.92
Pvap	1.33	kPa	486.16	Calculated Property
Pvap	3.01	kPa	508.47	Calculated Property
Pvap	6.22	kPa	530.77	Calculated Property
Pvap	11.92	kPa	553.08	Calculated Property
Pvap	21.45	kPa	575.39	Calculated Property
Pvap	36.55	kPa	597.69	Calculated Property
Pvap	59.39	kPa	620.00	Calculated Property
Pvap	92.58	kPa	642.31	Calculated Property
Pvap	139.19	kPa	664.61	Calculated Property
Pvap	202.66	kPa	686.92	Calculated Property

Similar Compounds

Find more compounds similar to 3-n-Hexadecylthiophene.

Sources

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

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