Chemical Properties of 1H-Indene, 1-phenylmethyl

InChI

InChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-11,15H,12H2

InChI Key

NBHBNYRLTADHQY-UHFFFAOYSA-N

Formula

C16H14

SMILES

C1=CC(Cc2ccccc2)c2ccccc21

Molecular Weight¹

206.29

• 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

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	[203.02; 553.13]	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			-1.07629e+02
Coefficient B			1.40140e+00
Coefficient C			-1.04944e-03
Coefficient D			3.08800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.02	J/mol×K	273.00	Calculated Property
Cp,gas	270.48	J/mol×K	353.78	Calculated Property
Cp,gas	328.52	J/mol×K	434.56	Calculated Property
Cp,gas	378.12	J/mol×K	515.33	Calculated Property
Cp,gas	420.26	J/mol×K	596.11	Calculated Property
Cp,gas	455.90	J/mol×K	676.89	Calculated Property
Cp,gas	486.04	J/mol×K	757.67	Calculated Property
Cp,gas	511.63	J/mol×K	838.44	Calculated Property
Cp,gas	533.67	J/mol×K	919.22	Calculated Property
Cp,gas	553.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017311; 0.0003994]	Pa×s	[354.14; 616.28]	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			-9.80673e+00
Coefficient B			1.22098e+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.			354.14
Temperature range, max.			616.28
η	0.0017311	Pa×s	354.14	Calculated Property
η	0.0013321	Pa×s	383.27	Calculated Property
η	0.0010637	Pa×s	412.39	Calculated Property
η	0.0008750	Pa×s	441.52	Calculated Property
η	0.0007373	Pa×s	470.65	Calculated Property
η	0.0006339	Pa×s	499.77	Calculated Property
η	0.0005541	Pa×s	528.90	Calculated Property
η	0.0004912	Pa×s	558.03	Calculated Property
η	0.0004407	Pa×s	587.15	Calculated Property
η	0.0003994	Pa×s	616.28	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 1-phenylmethyl.

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

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