Chemical Properties of Thiophene, 2-hexyl- (CAS 18794-77-9)

InChI

InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3

InChI Key

QZVHYFUVMQIGGM-UHFFFAOYSA-N

Formula

C10H16S

SMILES

CCCCCCc1cccs1

Molecular Weight¹

168.30

CAS

18794-77-9

Other Names

• 2-Hexylthiophene
• 2-n-Hexylthiophene

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	56.40 ± 1.30	kJ/mol	NIST
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.871		Crippen Calculated Property
McVol	148.650	ml/mol	McGowan Calculated Property
Inp	[1245.00; 1280.00]
Inp	1247.00		NIST
Inp	1247.00		NIST
Inp	1274.00		NIST
Inp	1280.00		NIST
Inp	1246.00		NIST
Inp	1245.00		NIST
Inp	1245.00		NIST
Inp	1256.00		NIST
Inp	1256.00		NIST
I	[1532.00; 1564.00]
I	1532.00		NIST
I	1544.00		NIST
I	1545.00		NIST
I	1564.00		NIST
I	1564.00		NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[376.72; 523.87]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54164e+01
Coefficient B			-4.47772e+03
Coefficient C			-8.07480e+01
Temperature range, min.			376.72
Temperature range, max.			523.87
Pvap	1.33	kPa	376.72	Calculated Property
Pvap	2.94	kPa	393.07	Calculated Property
Pvap	6.01	kPa	409.42	Calculated Property
Pvap	11.45	kPa	425.77	Calculated Property
Pvap	20.61	kPa	442.12	Calculated Property
Pvap	35.23	kPa	458.47	Calculated Property
Pvap	57.61	kPa	474.82	Calculated Property
Pvap	90.60	kPa	491.17	Calculated Property
Pvap	137.60	kPa	507.52	Calculated Property
Pvap	202.65	kPa	523.87	Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 2-hexyl-.

Sources

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

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