Chemical Properties of 2-Methoxythiophene (CAS 16839-97-7)

InChI

InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3

InChI Key

OKEHURCMYKPVFW-UHFFFAOYSA-N

Formula

C5H6OS

SMILES

COc1cccs1

Molecular Weight¹

114.17

CAS

16839-97-7

Other Names

• Thiophene, 2-methoxy-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3100		Relay (1.0) Calculated Property
ΔfG°	8.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-63.27	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	43.12	kJ/mol	Relay (1.0) Calculated Property
IE	[8.02; 8.30]	eV
IE	8.02	eV	NIST
IE	8.14 ± 0.05	eV	NIST
IE	8.08	eV	NIST
IE	8.30 ± 0.05	eV	NIST
IE	8.30	eV	NIST
IE	8.18	eV	NIST
log10WS	-1.84		Relay (1.0) Calculated Property
logPoct/wat	1.757		Crippen Calculated Property
McVol	84.070	ml/mol	McGowan Calculated Property
Pc	4578.76	kPa	Relay (1.0-beta) Calculated Property
Inp	878.00		NIST
Tboil	420.79	K	Relay (1.0) Calculated Property
Tc	626.69	K	Relay (1.0) Calculated Property
Tfus	241.97	K	Relay (1.0) Calculated Property
Vc	0.292	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 2.47]	kPa	[278.10; 323.70]
Pvap	0.13	kPa	278.10	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.16	kPa	281.00	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.18	kPa	283.00	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.23	kPa	285.90	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.27	kPa	287.80	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.32	kPa	290.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.39	kPa	292.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.46	kPa	295.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.54	kPa	297.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.64	kPa	300.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.70	kPa	302.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.87	kPa	305.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.99	kPa	307.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.15	kPa	310.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.34	kPa	312.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.30	kPa	312.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.37	kPa	313.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.56	kPa	315.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.83	kPa	318.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	2.20	kPa	321.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	2.47	kPa	323.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-Methoxythiophene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
• McGowan Method
• NIST Webbook

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