Chemical Properties of 1H-Indole, 2-phenyl- (CAS 948-65-2)

InChI

InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H

InChI Key

KLLLJCACIRKBDT-UHFFFAOYSA-N

Formula

C14H11N

SMILES

c1ccc(-c2cc3ccccc3[nH]2)cc1

Molecular Weight¹

193.24

CAS

948-65-2

Other Names

• 2-phenyl-1H-indole
• 2-phenylindole
• Stabilizer I
• indole, 2-phenyl-
• «alpha»-Phenylindole

• 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_sub : Sublimation 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	0.4746		Relay (1.0) Calculated Property
ΔfG°	338.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	273.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	97.06	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	3.353		Crippen Calculated Property
McVol	155.420	ml/mol	McGowan Calculated Property
Pc	3977.62	kPa	Relay (1.0-beta) Calculated Property
Inp	[343.02; 347.47]
Inp	343.02		NIST
Inp	346.18		NIST
Inp	347.47		NIST
Inp	347.47		NIST
Inp	347.47		NIST
Tboil	631.13	K	Relay (1.0) Calculated Property
Tc	932.22	K	Relay (1.0) Calculated Property
Tfus	462.00 ± 3.00	K	NIST
Vc	0.590	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Psub	[1.16e-04; 1.05e-03]	kPa	[360.16; 382.10]
Psub	1.19e-04	kPa	360.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.16e-04	kPa	360.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.22e-04	kPa	360.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.55e-04	kPa	362.11	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.49e-04	kPa	362.11	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.57e-04	kPa	362.11	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.82e-04	kPa	364.08	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.76e-04	kPa	364.08	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.84e-04	kPa	364.08	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	2.27e-04	kPa	366.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	2.14e-04	kPa	366.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	2.17e-04	kPa	366.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	2.78e-04	kPa	368.13	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	2.62e-04	kPa	368.13	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	2.70e-04	kPa	368.13	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	3.31e-04	kPa	370.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	3.25e-04	kPa	370.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	3.24e-04	kPa	370.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	3.92e-04	kPa	372.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	4.12e-04	kPa	372.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	3.93e-04	kPa	372.16	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	5.00e-04	kPa	374.12	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	4.56e-04	kPa	374.12	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	4.91e-04	kPa	374.12	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	5.74e-04	kPa	376.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	5.92e-04	kPa	376.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	5.90e-04	kPa	376.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	6.93e-04	kPa	378.15	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	7.01e-04	kPa	378.15	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	7.35e-04	kPa	378.15	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	8.32e-04	kPa	380.12	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	8.68e-04	kPa	380.12	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	8.85e-04	kPa	380.12	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.05e-03	kPa	382.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.05e-03	kPa	382.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
Psub	1.02e-03	kPa	382.10	Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1H-Indole, 2-phenyl-.

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
• Experimental and computational energetic study of 1-R-2-phenylindole (R = H, CH3, C2H5)
• McGowan Method
• NIST Webbook

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