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

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	273.86	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
logPoct/wat	3.353		Crippen Calculated Property
McVol	155.420	ml/mol	McGowan 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
Tfus	[462.00; 463.40]	K
Tfus	463.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	462.00 ± 3.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.