Chemical Properties of Thiophene, 3-methoxy- (CAS 17573-92-1)

InChI

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

InChI Key

RFSKGCVUDQRZSD-UHFFFAOYSA-N

Formula

C5H6OS

SMILES

COc1ccsc1

Molecular Weight¹

114.17

CAS

17573-92-1

Other Names

• 3-methoxythiophene

• 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).
• T_boil : Normal Boiling Point Temperature (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	0.3369		Relay (1.0) Calculated Property
ΔfG°	10.22	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-41.15	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	47.92	kJ/mol	Relay (1.0) Calculated Property
IE	[8.19; 8.37]	eV
IE	8.19	eV	NIST
IE	8.37	eV	NIST
log10WS	-1.95		Relay (1.0) Calculated Property
logPoct/wat	1.757		Crippen Calculated Property
McVol	84.070	ml/mol	McGowan Calculated Property
Pc	4550.76	kPa	Relay (1.0-beta) Calculated Property
Tboil	439.18	K	Relay (1.0) Calculated Property
Tc	647.62	K	Relay (1.0) Calculated Property
Tfus	233.29	K	Relay (1.0) Calculated Property
Vc	0.285	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.09; 1.76]	kPa	[278.10; 324.70]
Pvap	0.09	kPa	278.10	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.11	kPa	281.00	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.14	kPa	283.90	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.17	kPa	286.80	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.21	kPa	289.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.26	kPa	292.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.32	kPa	295.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.36	kPa	297.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.43	kPa	300.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.52	kPa	303.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.63	kPa	306.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.76	kPa	309.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	0.92	kPa	312.60	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.08	kPa	315.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.31	kPa	318.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.54	kPa	321.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase
Pvap	1.76	kPa	324.70	Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase

Similar Compounds

Find more compounds similar to Thiophene, 3-methoxy-.

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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