Chemical Properties of 1-phenyl-2-(2-furanyl)-ethane

InChI

InChI=1S/C12H12O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-7,10H,8-9H2

InChI Key

PPRMBHRATOCDLN-UHFFFAOYSA-N

Formula

C12H12O

SMILES

c1ccc(CCc2ccco2)cc1

Molecular Weight¹

172.23

• 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 : 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	0.4564		Relay (1.0) Calculated Property
ΔfG°	156.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	35.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	3.065		Crippen Calculated Property
McVol	142.590	ml/mol	McGowan Calculated Property
Pc	3165.84	kPa	Relay (1.0-beta) Calculated Property
I	[1858.00; 1858.00]
I	1858.00		NIST
I	1858.00		NIST
Tboil	521.87	K	Relay (1.0) Calculated Property
Tc	754.82	K	Relay (1.0) Calculated Property
Tfus	276.24	K	Relay (1.0) Calculated Property
Vc	0.561	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-phenyl-2-(2-furanyl)-ethane.

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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