Chemical Properties of 3-Octylthiophene (CAS 65016-62-8)

InChI

InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3

InChI Key

WQYWXQCOYRZFAV-UHFFFAOYSA-N

Formula

C12H20S

SMILES

CCCCCCCCc1ccsc1

Molecular Weight¹

196.35

CAS

65016-62-8

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[406.08; 561.37]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55067e+01
Coefficient B			-4.79599e+03
Coefficient C			-9.09500e+01
Temperature range, min.			406.08
Temperature range, max.			561.37
Pvap	1.33	kPa	406.08	Calculated Property
Pvap	2.94	kPa	423.33	Calculated Property
Pvap	5.99	kPa	440.59	Calculated Property
Pvap	11.41	kPa	457.84	Calculated Property
Pvap	20.53	kPa	475.10	Calculated Property
Pvap	35.11	kPa	492.35	Calculated Property
Pvap	57.46	kPa	509.61	Calculated Property
Pvap	90.42	kPa	526.86	Calculated Property
Pvap	137.47	kPa	544.12	Calculated Property
Pvap	202.67	kPa	561.37	Calculated Property

Similar Compounds

Find more compounds similar to 3-Octylthiophene.

Sources

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

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