Chemical Properties of 2-Thiopheneacetic acid, undec-2-enyl ester

InChI

InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-8-9-10-13-19-17(18)15-16-12-11-14-20-16/h9-12,14H,2-8,13,15H2,1H3/b10-9+

InChI Key

AGFHZNSXSDMHCS-MDZDMXLPSA-N

Formula

C17H26O2S

SMILES

CCCCCCCCC=CCOC(=O)Cc1cccs1

Molecular Weight¹

294.45

• 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).
• I_np : Non-polar retention indices.
• 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	0.7424		Relay (1.0) Calculated Property
ΔfG°	-25.72	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-432.87	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	5.141		Crippen Calculated Property
McVol	250.420	ml/mol	McGowan Calculated Property
Pc	1590.04	kPa	Relay (1.0-beta) Calculated Property
Inp	[2133.00; 2133.00]
Inp	2133.00		NIST
Inp	2133.00		NIST
Tboil	606.15	K	Relay (1.0) Calculated Property
Tc	808.78	K	Relay (1.0) Calculated Property
Tfus	265.56	K	Relay (1.0) Calculated Property
Vc	0.903	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Thiopheneacetic acid, undec-2-enyl ester.

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
• McGowan Method
• NIST Webbook

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