Chemical Properties of Thiophene, 2-nitro- (CAS 609-40-5)

InChI

InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H

InChI Key

JIZRGGUCOQKGQD-UHFFFAOYSA-N

Formula

C4H3NO2S

SMILES

O=[N+]([O-])c1cccs1

Molecular Weight¹

129.14

CAS

609-40-5

Other Names

• 2-Nitrothiofene
• 2-Nitrothiophene

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[9.57; 9.77]	eV
IE	9.57	eV	NIST
IE	9.77 ± 0.05	eV	NIST
IE	9.77	eV	NIST
IE	9.71	eV	NIST
IE	9.73 ± 0.05	eV	NIST
log10WS	-1.88		Crippen Calculated Property
logPoct/wat	1.656		Crippen Calculated Property
McVol	81.530	ml/mol	McGowan Calculated Property
Tboil	497.70	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[48.60; 50.40]	kJ/mol	[409.50; 410.50]
ΔvapH	50.40	kJ/mol	409.50	NIST
ΔvapH	48.60	kJ/mol	410.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[368.99; 526.55]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.77668e+01
Coefficient B			-6.82769e+03
Coefficient C			2.16250e+01
Temperature range, min.			368.99
Temperature range, max.			526.55
Pvap	1.33	kPa	368.99	Calculated Property
Pvap	2.82	kPa	386.50	Calculated Property
Pvap	5.61	kPa	404.00	Calculated Property
Pvap	10.58	kPa	421.51	Calculated Property
Pvap	19.01	kPa	439.02	Calculated Property
Pvap	32.70	kPa	456.52	Calculated Property
Pvap	54.15	kPa	474.03	Calculated Property
Pvap	86.63	kPa	491.54	Calculated Property
Pvap	134.37	kPa	509.04	Calculated Property
Pvap	202.66	kPa	526.55	Calculated Property

Similar Compounds

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

Sources

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

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