Chemical Properties of 2-n-Hexadecylthiophene (CAS ---)

InChI

InChI=1S/C20H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21-20/h16,18-19H,2-15,17H2,1H3

InChI Key

PJBTZAOJLKQEES-UHFFFAOYSA-N

Formula

C20H36S

SMILES

CCCCCCCCCCCCCCCCc1cccs1

Molecular Weight¹

308.56

CAS

---

Other Names

• 2-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	[2289.00; 2328.00]
Inp	2289.00		NIST
Inp	2289.00		NIST
Inp	2328.00		NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[484.56; 687.51]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43800e+01
Coefficient B			-5.16259e+03
Coefficient C			-1.18222e+02
Temperature range, min.			484.56
Temperature range, max.			687.51
Pvap	1.33	kPa	484.56	Calculated Property
Pvap	3.02	kPa	507.11	Calculated Property
Pvap	6.25	kPa	529.66	Calculated Property
Pvap	11.99	kPa	552.21	Calculated Property
Pvap	21.58	kPa	574.76	Calculated Property
Pvap	36.75	kPa	597.31	Calculated Property
Pvap	59.65	kPa	619.86	Calculated Property
Pvap	92.88	kPa	642.41	Calculated Property
Pvap	139.42	kPa	664.96	Calculated Property
Pvap	202.66	kPa	687.51	Calculated Property

Similar Compounds

Find more compounds similar to 2-n-Hexadecylthiophene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.