Chemical Properties of 1-(2-Furyl)-3-phenylpropane (CAS 5073-13-2)

InChI

InChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,5-7,10-11H,4,8-9H2

InChI Key

HWYJSJWNOAJXLT-UHFFFAOYSA-N

Formula

C13H14O

SMILES

c1ccc(CCCc2ccco2)cc1

Molecular Weight¹

186.25

CAS

5073-13-2

Other Names

• 2-(3-Phenylpropyl)furan
• Furan, 2-(3-phenylpropyl)-

• 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	0.5000		Relay (1.0) Calculated Property
ΔfG°	165.08	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	2.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-3.36		Relay (1.0) Calculated Property
logPoct/wat	3.455		Crippen Calculated Property
McVol	156.680	ml/mol	McGowan Calculated Property
Pc	2792.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[1637.00; 1637.00]
Inp	1637.00		NIST
Inp	1637.00		NIST
Tboil	537.55	K	Relay (1.0) Calculated Property
Tc	769.03	K	Relay (1.0) Calculated Property
Tfus	255.24	K	Relay (1.0) Calculated Property
Vc	0.613	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-(2-Furyl)-3-phenylpropane.

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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