Chemical Properties of 1H-Indene, 1-phenyl- (CAS 1961-96-2)

InChI

InChI=1S/C15H12/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15/h1-11,15H

InChI Key

PXORBAGTGTXORO-UHFFFAOYSA-N

Formula

C15H12

SMILES

C1=CC(c2ccccc2)c2ccccc21

Molecular Weight¹

192.26

CAS

1961-96-2

Other Names

• 1-Phenyl-1H-indene
• 1-phenyl indene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	332.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.66	kJ/mol	Joback Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
logPoct/wat	3.845		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Inp	[292.16; 311.12]
Inp	299.20		NIST
Inp	304.80		NIST
Inp	299.20		NIST
Inp	292.16		NIST
Inp	311.12		NIST
Inp	311.12		NIST
Inp	311.12		NIST
Inp	299.20		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.81; 501.54]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.06720e+02
Coefficient B			1.30640e+00
Coefficient C			-9.95040e-04
Coefficient D			2.96900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.81	J/mol×K	273.00	Calculated Property
Cp,gas	244.06	J/mol×K	353.78	Calculated Property
Cp,gas	297.45	J/mol×K	434.56	Calculated Property
Cp,gas	342.89	J/mol×K	515.33	Calculated Property
Cp,gas	381.35	J/mol×K	596.11	Calculated Property
Cp,gas	413.74	J/mol×K	676.89	Calculated Property
Cp,gas	441.02	J/mol×K	757.67	Calculated Property
Cp,gas	464.12	J/mol×K	838.44	Calculated Property
Cp,gas	483.98	J/mol×K	919.22	Calculated Property
Cp,gas	501.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016754; 0.0004042]	Pa×s	[342.87; 604.36]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.67815e+00
Coefficient B			1.12682e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			342.87
Temperature range, max.			604.36
η	0.0016754	Pa×s	342.87	Calculated Property
η	0.0012960	Pa×s	371.92	Calculated Property
η	0.0010406	Pa×s	400.98	Calculated Property
η	0.0008606	Pa×s	430.03	Calculated Property
η	0.0007291	Pa×s	459.09	Calculated Property
η	0.0006300	Pa×s	488.14	Calculated Property
η	0.0005534	Pa×s	517.20	Calculated Property
η	0.0004928	Pa×s	546.25	Calculated Property
η	0.0004441	Pa×s	575.31	Calculated Property
η	0.0004042	Pa×s	604.36	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 1-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
• Joback Method
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.